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

C19H26ClNO2 — CID 171212991

IUPAC(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@@H](N)c1ccc(OC)c(OCc2ccccc2)c1.Cl
InChIInChI=1S/C19H25NO2.ClH/c1-3-4-10-17(20)16-11-12-18(21-2)19(13-16)22-14-15-8-6-5-7-9-15;/h5-9,11-13,17H,3-4,10,14,20H2,1-2H3;1H/t17-;/m1./s1
InChIKeyVSRYDQYKXJMPHZ-UNTBIKODSA-N
MW335.88 g/mol
LogP4.89
Rot. Bonds8

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

(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride (PubChem CID 171212991) has the molecular formula C19H26ClNO2 and a molecular weight of 335.88 g/mol. Its IUPAC name is (1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
PubChem CID171212991
Molecular FormulaC19H26ClNO2
Molecular Weight335.88 g/mol
Exact Mass335.17
IUPAC Name(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@@H](N)c1ccc(OC)c(OCc2ccccc2)c1.Cl
InChIInChI=1S/C19H25NO2.ClH/c1-3-4-10-17(20)16-11-12-18(21-2)19(13-16)22-14-15-8-6-5-7-9-15;/h5-9,11-13,17H,3-4,10,14,20H2,1-2H3;1H/t17-;/m1./s1
InChIKeyVSRYDQYKXJMPHZ-UNTBIKODSA-N
XLogP4.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171212993
(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171214526
(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
(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-ethoxy-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171230415
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
(4S)-4-amino-4-(3-ethoxy-4-phenylmethoxyphenyl)butan-1-ol;hydrochloride
CID 171230057
(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
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)butane-1,4-diamine
CID 171230001

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride (CID 171212991) is (1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride is CCCC[C@@H](N)c1ccc(OC)c(OCc2ccccc2)c1.Cl.
What is the InChIKey of (1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride?
The InChIKey is VSRYDQYKXJMPHZ-UNTBIKODSA-N. The full InChI is InChI=1S/C19H25NO2.ClH/c1-3-4-10-17(20)16-11-12-18(21-2)19(13-16)22-14-15-8-6-5-7-9-15;/h5-9,11-13,17H,3-4,10,14,20H2,1-2H3;1H/t17-;/m1./s1.
What are the key properties of (1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride?
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride has a molecular weight of 335.88 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride is sourced from PubChem (CID 171212991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).