(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride

C20H28ClNO2 — CID 171214526

IUPAC(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
SMILESCCCCC[C@@H](N)c1ccc(OCc2ccccc2)c(OC)c1.Cl
InChIInChI=1S/C20H27NO2.ClH/c1-3-4-6-11-18(21)17-12-13-19(20(14-17)22-2)23-15-16-9-7-5-8-10-16;/h5,7-10,12-14,18H,3-4,6,11,15,21H2,1-2H3;1H/t18-;/m1./s1
InChIKeyJIWAQASCDFRXDL-GMUIIQOCSA-N
MW349.90 g/mol
LogP5.28
Rot. Bonds9

About (1R)-1-(3-methoxy-4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride

(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride (PubChem CID 171214526) has the molecular formula C20H28ClNO2 and a molecular weight of 349.90 g/mol. Its IUPAC name is (1R)-1-(3-methoxy-4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
PubChem CID171214526
Molecular FormulaC20H28ClNO2
Molecular Weight349.90 g/mol
Exact Mass349.18
IUPAC Name(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
SMILESCCCCC[C@@H](N)c1ccc(OCc2ccccc2)c(OC)c1.Cl
InChIInChI=1S/C20H27NO2.ClH/c1-3-4-6-11-18(21)17-12-13-19(20(14-17)22-2)23-15-16-9-7-5-8-10-16;/h5,7-10,12-14,18H,3-4,6,11,15,21H2,1-2H3;1H/t18-;/m1./s1
InChIKeyJIWAQASCDFRXDL-GMUIIQOCSA-N
XLogP5.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.90
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171212993
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171212991
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171230016
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentane-1,5-diamine;hydrochloride
CID 171212979
(1R)-4,4,4-trifluoro-1-(3-methoxy-4-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171214534
(1S)-4,4,4-trifluoro-1-(3-methoxy-4-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171234164
1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]hexan-1-amine
CID 67689826
(3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride
CID 171213030
(1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine
CID 171213002
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)-3-methylbutan-1-amine
CID 171234157
(1R)-1-(4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171211172
(1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171244475

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methoxy-4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(3-methoxy-4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride (CID 171214526) is (1R)-1-(3-methoxy-4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(3-methoxy-4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(3-methoxy-4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride is CCCCC[C@@H](N)c1ccc(OCc2ccccc2)c(OC)c1.Cl.
What is the InChIKey of (1R)-1-(3-methoxy-4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride?
The InChIKey is JIWAQASCDFRXDL-GMUIIQOCSA-N. The full InChI is InChI=1S/C20H27NO2.ClH/c1-3-4-6-11-18(21)17-12-13-19(20(14-17)22-2)23-15-16-9-7-5-8-10-16;/h5,7-10,12-14,18H,3-4,6,11,15,21H2,1-2H3;1H/t18-;/m1./s1.
What are the key properties of (1R)-1-(3-methoxy-4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride?
(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride has a molecular weight of 349.90 g/mol, XLogP of 5.28, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methoxy-4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride is sourced from PubChem (CID 171214526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).