(1R,2S)-N,N-dimethyl-1-[(4-phenylmethoxyphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride

C25H28ClNO — CID 70058707

IUPAC(1R,2S)-N,N-dimethyl-1-[(4-phenylmethoxyphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride
SMILESCN(C)[C@H]1Cc2ccccc2[C@H]1Cc1ccc(OCc2ccccc2)cc1.Cl
InChIInChI=1S/C25H27NO.ClH/c1-26(2)25-17-21-10-6-7-11-23(21)24(25)16-19-12-14-22(15-13-19)27-18-20-8-4-3-5-9-20;/h3-15,24-25H,16-18H2,1-2H3;1H/t24-,25+;/m1./s1
InChIKeyIMTTZMOQFFZEBP-KGQXAQPSSA-N
MW393.96 g/mol
LogP5.50
Rot. Bonds6

About (1R,2S)-N,N-dimethyl-1-[(4-phenylmethoxyphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride

(1R,2S)-N,N-dimethyl-1-[(4-phenylmethoxyphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride (PubChem CID 70058707) has the molecular formula C25H28ClNO and a molecular weight of 393.96 g/mol. Its IUPAC name is (1R,2S)-N,N-dimethyl-1-[(4-phenylmethoxyphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-N,N-dimethyl-1-[(4-phenylmethoxyphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride
PubChem CID70058707
Molecular FormulaC25H28ClNO
Molecular Weight393.96 g/mol
Exact Mass393.19
IUPAC Name(1R,2S)-N,N-dimethyl-1-[(4-phenylmethoxyphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride
SMILESCN(C)[C@H]1Cc2ccccc2[C@H]1Cc1ccc(OCc2ccccc2)cc1.Cl
InChIInChI=1S/C25H27NO.ClH/c1-26(2)25-17-21-10-6-7-11-23(21)24(25)16-19-12-14-22(15-13-19)27-18-20-8-4-3-5-9-20;/h3-15,24-25H,16-18H2,1-2H3;1H/t24-,25+;/m1./s1
InChIKeyIMTTZMOQFFZEBP-KGQXAQPSSA-N
XLogP5.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.96
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,2S)-N,N-dimethyl-1-[(4-phenylmethoxyphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride with MolForge

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Related Compounds

tert-butyl N-methyl-N-[1-[(4-phenylmethoxyphenyl)methyl]-2,3-dihydro-1H-inden-2-yl]carbamate
CID 23202979
1-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 11278912
N-methyl-1-(4-phenylmethoxyphenoxy)-2,3-dihydro-1H-inden-2-amine
CID 19075628
1-benzyl-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 23203044
1-[(4-benzylphenoxy)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 67653412
1-[(4-benzylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 70058981
(2R,5S)-2,5-bis[(4-phenylmethoxyphenyl)methyl]piperazine
CID 171348097
2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine
CID 18969682
2-(aminomethyl)-N-methyl-N-[(4-phenylmethoxyphenyl)methyl]cyclohexan-1-amine
CID 113242171
(1S,2R)-1-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 67652206
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
trans-(1S,2S)-N-methyl-2-[(4-phenylmethoxyphenyl)methyl]cyclopentan-1-amine
CID 67573261

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-N,N-dimethyl-1-[(4-phenylmethoxyphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The IUPAC name of (1R,2S)-N,N-dimethyl-1-[(4-phenylmethoxyphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride (CID 70058707) is (1R,2S)-N,N-dimethyl-1-[(4-phenylmethoxyphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride.
What is the SMILES notation for (1R,2S)-N,N-dimethyl-1-[(4-phenylmethoxyphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The canonical SMILES for (1R,2S)-N,N-dimethyl-1-[(4-phenylmethoxyphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride is CN(C)[C@H]1Cc2ccccc2[C@H]1Cc1ccc(OCc2ccccc2)cc1.Cl.
What is the InChIKey of (1R,2S)-N,N-dimethyl-1-[(4-phenylmethoxyphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The InChIKey is IMTTZMOQFFZEBP-KGQXAQPSSA-N. The full InChI is InChI=1S/C25H27NO.ClH/c1-26(2)25-17-21-10-6-7-11-23(21)24(25)16-19-12-14-22(15-13-19)27-18-20-8-4-3-5-9-20;/h3-15,24-25H,16-18H2,1-2H3;1H/t24-,25+;/m1./s1.
What are the key properties of (1R,2S)-N,N-dimethyl-1-[(4-phenylmethoxyphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride?
(1R,2S)-N,N-dimethyl-1-[(4-phenylmethoxyphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride has a molecular weight of 393.96 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-N,N-dimethyl-1-[(4-phenylmethoxyphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride is sourced from PubChem (CID 70058707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).