(4S)-4-amino-4-(3,5-dimethyl-4-phenylmethoxyphenyl)butan-1-ol;hydrochloride

C19H26ClNO2 — CID 171234071

IUPAC(4S)-4-amino-4-(3,5-dimethyl-4-phenylmethoxyphenyl)butan-1-ol;hydrochloride
SMILESCc1cc([C@@H](N)CCCO)cc(C)c1OCc1ccccc1.Cl
InChIInChI=1S/C19H25NO2.ClH/c1-14-11-17(18(20)9-6-10-21)12-15(2)19(14)22-13-16-7-4-3-5-8-16;/h3-5,7-8,11-12,18,21H,6,9-10,13,20H2,1-2H3;1H/t18-;/m0./s1
InChIKeyUHGKMAMNKMOLHF-FERBBOLQSA-N
MW335.88 g/mol
LogP4.08
Rot. Bonds7

About (4S)-4-amino-4-(3,5-dimethyl-4-phenylmethoxyphenyl)butan-1-ol;hydrochloride

(4S)-4-amino-4-(3,5-dimethyl-4-phenylmethoxyphenyl)butan-1-ol;hydrochloride (PubChem CID 171234071) has the molecular formula C19H26ClNO2 and a molecular weight of 335.88 g/mol. Its IUPAC name is (4S)-4-amino-4-(3,5-dimethyl-4-phenylmethoxyphenyl)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name(4S)-4-amino-4-(3,5-dimethyl-4-phenylmethoxyphenyl)butan-1-ol;hydrochloride
PubChem CID171234071
Molecular FormulaC19H26ClNO2
Molecular Weight335.88 g/mol
Exact Mass335.17
IUPAC Name(4S)-4-amino-4-(3,5-dimethyl-4-phenylmethoxyphenyl)butan-1-ol;hydrochloride
SMILESCc1cc([C@@H](N)CCCO)cc(C)c1OCc1ccccc1.Cl
InChIInChI=1S/C19H25NO2.ClH/c1-14-11-17(18(20)9-6-10-21)12-15(2)19(14)22-13-16-7-4-3-5-8-16;/h3-5,7-8,11-12,18,21H,6,9-10,13,20H2,1-2H3;1H/t18-;/m0./s1
InChIKeyUHGKMAMNKMOLHF-FERBBOLQSA-N
XLogP4.08
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-3-(3,5-dimethyl-4-phenylmethoxyphenyl)propan-1-ol;hydrochloride
CID 171234069
(1R)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171234012
(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-fluoroethanamine
CID 171214379
(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)ethane-1,2-diamine
CID 171214381
(1R)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)-2,2-difluoroethanamine
CID 171244432
1,3-dimethyl-2-phenylmethoxy-5-propan-2-ylbenzene
CID 59709239
(4S)-4-amino-4-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 171231269
2-(3,5-dimethyl-4-phenylmethoxyphenyl)propanoic acid
CID 117457924
(4S)-4-amino-4-(3-ethoxy-4-phenylmethoxyphenyl)butan-1-ol;hydrochloride
CID 171230057
(1S,2R)-2-amino-1-cyclopropyl-2-(3,5-dimethyl-4-phenylmethoxyphenyl)ethanol;hydrochloride
CID 171265367
methyl (3S)-3-amino-3-(3,5-dimethyl-4-phenylmethoxyphenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171251160
(S)-cyclobutyl-(3,5-dimethyl-4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171234044

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-4-(3,5-dimethyl-4-phenylmethoxyphenyl)butan-1-ol;hydrochloride?
The IUPAC name of (4S)-4-amino-4-(3,5-dimethyl-4-phenylmethoxyphenyl)butan-1-ol;hydrochloride (CID 171234071) is (4S)-4-amino-4-(3,5-dimethyl-4-phenylmethoxyphenyl)butan-1-ol;hydrochloride.
What is the SMILES notation for (4S)-4-amino-4-(3,5-dimethyl-4-phenylmethoxyphenyl)butan-1-ol;hydrochloride?
The canonical SMILES for (4S)-4-amino-4-(3,5-dimethyl-4-phenylmethoxyphenyl)butan-1-ol;hydrochloride is Cc1cc([C@@H](N)CCCO)cc(C)c1OCc1ccccc1.Cl.
What is the InChIKey of (4S)-4-amino-4-(3,5-dimethyl-4-phenylmethoxyphenyl)butan-1-ol;hydrochloride?
The InChIKey is UHGKMAMNKMOLHF-FERBBOLQSA-N. The full InChI is InChI=1S/C19H25NO2.ClH/c1-14-11-17(18(20)9-6-10-21)12-15(2)19(14)22-13-16-7-4-3-5-8-16;/h3-5,7-8,11-12,18,21H,6,9-10,13,20H2,1-2H3;1H/t18-;/m0./s1.
What are the key properties of (4S)-4-amino-4-(3,5-dimethyl-4-phenylmethoxyphenyl)butan-1-ol;hydrochloride?
(4S)-4-amino-4-(3,5-dimethyl-4-phenylmethoxyphenyl)butan-1-ol;hydrochloride has a molecular weight of 335.88 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-4-(3,5-dimethyl-4-phenylmethoxyphenyl)butan-1-ol;hydrochloride is sourced from PubChem (CID 171234071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).