(1R,2S)-1-amino-1-(3-ethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride

C17H22ClNO2 — CID 171262632

IUPAC(1R,2S)-1-amino-1-(3-ethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride
SMILESCCOc1cccc([C@@H](N)[C@@H](O)Cc2ccccc2)c1.Cl
InChIInChI=1S/C17H21NO2.ClH/c1-2-20-15-10-6-9-14(12-15)17(18)16(19)11-13-7-4-3-5-8-13;/h3-10,12,16-17,19H,2,11,18H2,1H3;1H/t16-,17+;/m0./s1
InChIKeyPUBGEWLPRBQRBH-MCJVGQIASA-N
MW307.82 g/mol
LogP3.11
Rot. Bonds6

About (1R,2S)-1-amino-1-(3-ethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride

(1R,2S)-1-amino-1-(3-ethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride (PubChem CID 171262632) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(3-ethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(3-ethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride
PubChem CID171262632
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC Name(1R,2S)-1-amino-1-(3-ethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride
SMILESCCOc1cccc([C@@H](N)[C@@H](O)Cc2ccccc2)c1.Cl
InChIInChI=1S/C17H21NO2.ClH/c1-2-20-15-10-6-9-14(12-15)17(18)16(19)11-13-7-4-3-5-8-13;/h3-10,12,16-17,19H,2,11,18H2,1H3;1H/t16-,17+;/m0./s1
InChIKeyPUBGEWLPRBQRBH-MCJVGQIASA-N
XLogP3.11
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171268301
(1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-3-phenylpropan-2-ol
CID 171268459
(1S,2R)-1-amino-1-(4-ethoxy-3-methoxyphenyl)-3-phenylpropan-2-ol
CID 171270282
4-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-2-bromo-6-ethoxyphenol;hydrochloride
CID 171268979
(1R,2S)-1-amino-1-(3-iodophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171264272
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
(1S,2R)-1-amino-1-(3-methoxyphenyl)butan-2-ol;hydrochloride
CID 171161967
(1S,2R)-1-amino-1-(3,5-dimethylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267421
1-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 79444348
1-(3-ethoxyphenyl)-3-phenylpropan-1-amine
CID 60817898
(1R,2S)-1-amino-1-(6-methoxynaphthalen-2-yl)-3-phenylpropan-2-ol;hydrochloride
CID 171261088
3-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]benzonitrile;hydrochloride
CID 171261456

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(3-ethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(3-ethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride (CID 171262632) is (1R,2S)-1-amino-1-(3-ethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(3-ethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(3-ethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride is CCOc1cccc([C@@H](N)[C@@H](O)Cc2ccccc2)c1.Cl.
What is the InChIKey of (1R,2S)-1-amino-1-(3-ethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride?
The InChIKey is PUBGEWLPRBQRBH-MCJVGQIASA-N. The full InChI is InChI=1S/C17H21NO2.ClH/c1-2-20-15-10-6-9-14(12-15)17(18)16(19)11-13-7-4-3-5-8-13;/h3-10,12,16-17,19H,2,11,18H2,1H3;1H/t16-,17+;/m0./s1.
What are the key properties of (1R,2S)-1-amino-1-(3-ethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(3-ethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride has a molecular weight of 307.82 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(3-ethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride is sourced from PubChem (CID 171262632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).