(3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride

C17H22ClNO3 — CID 171213030

IUPAC(3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride
SMILESCOc1ccc([C@H](N)CCO)cc1OCc1ccccc1.Cl
InChIInChI=1S/C17H21NO3.ClH/c1-20-16-8-7-14(15(18)9-10-19)11-17(16)21-12-13-5-3-2-4-6-13;/h2-8,11,15,19H,9-10,12,18H2,1H3;1H/t15-;/m1./s1
InChIKeyBJNLGZSDBDTDDW-XFULWGLBSA-N
MW323.82 g/mol
LogP3.08
Rot. Bonds7

About (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride

(3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride (PubChem CID 171213030) has the molecular formula C17H22ClNO3 and a molecular weight of 323.82 g/mol. Its IUPAC name is (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride
PubChem CID171213030
Molecular FormulaC17H22ClNO3
Molecular Weight323.82 g/mol
Exact Mass323.13
IUPAC Name(3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride
SMILESCOc1ccc([C@H](N)CCO)cc1OCc1ccccc1.Cl
InChIInChI=1S/C17H21NO3.ClH/c1-20-16-8-7-14(15(18)9-10-19)11-17(16)21-12-13-5-3-2-4-6-13;/h2-8,11,15,19H,9-10,12,18H2,1H3;1H/t15-;/m1./s1
InChIKeyBJNLGZSDBDTDDW-XFULWGLBSA-N
XLogP3.08
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171212991
(3S)-3-amino-3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol
CID 171230054
(1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine
CID 171213002
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171212993
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentane-1,5-diamine;hydrochloride
CID 171212979
3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 132961318
(4S)-4-amino-4-(3-ethoxy-4-phenylmethoxyphenyl)butan-1-ol;hydrochloride
CID 171230057
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171214526
(3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol
CID 67175570
(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 171214375
(1R)-4,4,4-trifluoro-1-(3-methoxy-4-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171214534

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride (CID 171213030) is (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride is COc1ccc([C@H](N)CCO)cc1OCc1ccccc1.Cl.
What is the InChIKey of (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride?
The InChIKey is BJNLGZSDBDTDDW-XFULWGLBSA-N. The full InChI is InChI=1S/C17H21NO3.ClH/c1-20-16-8-7-14(15(18)9-10-19)11-17(16)21-12-13-5-3-2-4-6-13;/h2-8,11,15,19H,9-10,12,18H2,1H3;1H/t15-;/m1./s1.
What are the key properties of (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride?
(3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 171213030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).