(1S,2R)-2-(3,4-dimethoxyphenyl)-7-methoxy-N-methyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

C27H32ClNO4 — CID 62707044

IUPAC(1S,2R)-2-(3,4-dimethoxyphenyl)-7-methoxy-N-methyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
SMILESCN[C@@H]1c2cc(OC)c(OCc3ccccc3)cc2CC[C@@H]1c1ccc(OC)c(OC)c1.Cl
InChIInChI=1S/C27H31NO4.ClH/c1-28-27-21(19-11-13-23(29-2)24(14-19)30-3)12-10-20-15-26(25(31-4)16-22(20)27)32-17-18-8-6-5-7-9-18;/h5-9,11,13-16,21,27-28H,10,12,17H2,1-4H3;1H/t21-,27+;/m1./s1
InChIKeyFXQCGPKNSBHKRO-HXEWSPMQSA-N
MW470.01 g/mol
LogP5.70
Rot. Bonds8

About (1S,2R)-2-(3,4-dimethoxyphenyl)-7-methoxy-N-methyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

(1S,2R)-2-(3,4-dimethoxyphenyl)-7-methoxy-N-methyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride (PubChem CID 62707044) has the molecular formula C27H32ClNO4 and a molecular weight of 470.01 g/mol. Its IUPAC name is (1S,2R)-2-(3,4-dimethoxyphenyl)-7-methoxy-N-methyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-2-(3,4-dimethoxyphenyl)-7-methoxy-N-methyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
PubChem CID62707044
Molecular FormulaC27H32ClNO4
Molecular Weight470.01 g/mol
Exact Mass469.20
IUPAC Name(1S,2R)-2-(3,4-dimethoxyphenyl)-7-methoxy-N-methyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
SMILESCN[C@@H]1c2cc(OC)c(OCc3ccccc3)cc2CC[C@@H]1c1ccc(OC)c(OC)c1.Cl
InChIInChI=1S/C27H31NO4.ClH/c1-28-27-21(19-11-13-23(29-2)24(14-19)30-3)12-10-20-15-26(25(31-4)16-22(20)27)32-17-18-8-6-5-7-9-18;/h5-9,11,13-16,21,27-28H,10,12,17H2,1-4H3;1H/t21-,27+;/m1./s1
InChIKeyFXQCGPKNSBHKRO-HXEWSPMQSA-N
XLogP5.70
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.01
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S,2R)-2-(3,4-dimethoxyphenyl)-7-methoxy-N-methyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2R)-2-(3,4-dimethoxyphenyl)-6,7-dimethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62706576
5-(4-methoxy-3-phenylmethoxyphenyl)-2,2-dimethylcyclopentan-1-amine
CID 126507338
2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane
CID 14831922
7-methoxy-1-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 4523184
2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 82228571
(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)piperazine;hydrochloride
CID 171194691
6-methoxy-7-phenylmethoxy-1-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 4026358
6-methoxy-7-phenylmethoxy-1-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3487799
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120913068
(2R)-2-(4-methoxy-3-phenylmethoxyphenyl)piperidine
CID 171195670
(3S)-3-(4-methoxy-3-phenylmethoxyphenyl)morpholine;hydrochloride
CID 171193382
1-(1,3-benzodioxol-5-yl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 5227811

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-(3,4-dimethoxyphenyl)-7-methoxy-N-methyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The IUPAC name of (1S,2R)-2-(3,4-dimethoxyphenyl)-7-methoxy-N-methyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride (CID 62707044) is (1S,2R)-2-(3,4-dimethoxyphenyl)-7-methoxy-N-methyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride.
What is the SMILES notation for (1S,2R)-2-(3,4-dimethoxyphenyl)-7-methoxy-N-methyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The canonical SMILES for (1S,2R)-2-(3,4-dimethoxyphenyl)-7-methoxy-N-methyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride is CN[C@@H]1c2cc(OC)c(OCc3ccccc3)cc2CC[C@@H]1c1ccc(OC)c(OC)c1.Cl.
What is the InChIKey of (1S,2R)-2-(3,4-dimethoxyphenyl)-7-methoxy-N-methyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
The InChIKey is FXQCGPKNSBHKRO-HXEWSPMQSA-N. The full InChI is InChI=1S/C27H31NO4.ClH/c1-28-27-21(19-11-13-23(29-2)24(14-19)30-3)12-10-20-15-26(25(31-4)16-22(20)27)32-17-18-8-6-5-7-9-18;/h5-9,11,13-16,21,27-28H,10,12,17H2,1-4H3;1H/t21-,27+;/m1./s1.
What are the key properties of (1S,2R)-2-(3,4-dimethoxyphenyl)-7-methoxy-N-methyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride?
(1S,2R)-2-(3,4-dimethoxyphenyl)-7-methoxy-N-methyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride has a molecular weight of 470.01 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-(3,4-dimethoxyphenyl)-7-methoxy-N-methyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride is sourced from PubChem (CID 62707044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).