2-[(1R,2R)-2-amino-4-(2-chlorophenyl)-1-hydroxy-3-methylbutyl]phenol

C17H20ClNO2 — CID 67673760

IUPAC2-[(1R,2R)-2-amino-4-(2-chlorophenyl)-1-hydroxy-3-methylbutyl]phenol
SMILESCC(Cc1ccccc1Cl)[C@@H](N)[C@H](O)c1ccccc1O
InChIInChI=1S/C17H20ClNO2/c1-11(10-12-6-2-4-8-14(12)18)16(19)17(21)13-7-3-5-9-15(13)20/h2-9,11,16-17,20-21H,10,19H2,1H3/t11?,16-,17-/m1/s1
InChIKeyMHJVOEGKEVTTAR-YSGDOOFJSA-N
MW305.81 g/mol
LogP3.29
Rot. Bonds5

About 2-[(1R,2R)-2-amino-4-(2-chlorophenyl)-1-hydroxy-3-methylbutyl]phenol

2-[(1R,2R)-2-amino-4-(2-chlorophenyl)-1-hydroxy-3-methylbutyl]phenol (PubChem CID 67673760) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-[(1R,2R)-2-amino-4-(2-chlorophenyl)-1-hydroxy-3-methylbutyl]phenol.

Molecular Properties

Compound Name2-[(1R,2R)-2-amino-4-(2-chlorophenyl)-1-hydroxy-3-methylbutyl]phenol
PubChem CID67673760
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name2-[(1R,2R)-2-amino-4-(2-chlorophenyl)-1-hydroxy-3-methylbutyl]phenol
SMILESCC(Cc1ccccc1Cl)[C@@H](N)[C@H](O)c1ccccc1O
InChIInChI=1S/C17H20ClNO2/c1-11(10-12-6-2-4-8-14(12)18)16(19)17(21)13-7-3-5-9-15(13)20/h2-9,11,16-17,20-21H,10,19H2,1H3/t11?,16-,17-/m1/s1
InChIKeyMHJVOEGKEVTTAR-YSGDOOFJSA-N
XLogP3.29
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(2-chlorophenyl)-3-methyl-1-(2-methylphenyl)butan-1-ol
CID 67672020
2-amino-1-(2-chlorophenyl)-4-(2-methoxyphenyl)-3-methylbutan-1-ol
CID 67673988
2-amino-4-(2-chlorophenyl)-1-(3,4-dichlorophenyl)-3-methylbutan-1-ol
CID 67673658
(1R,2R)-2-amino-4-(2-chlorophenyl)-1-(3-chlorophenyl)-3-methylbutan-1-ol
CID 67673909
1-chloro-2-(2,3-dimethylbutyl)benzene
CID 123440272
(1R)-1,2-bis(2-chlorophenyl)ethanol
CID 86310638
2-[3,3-bis(2-hydroxyphenyl)-2-methylpropyl]phenol
CID 154087711
4-(2-chlorophenyl)-N,3-dimethylbutan-2-amine
CID 60995305
5-(2-chlorophenyl)-4-methylpentan-2-amine
CID 64719849
3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol
CID 60734098
(1R,2R)-2-amino-4-(2-methoxyphenyl)-3-methyl-1-(2-phenylmethoxyphenyl)butan-1-ol
CID 67671687
1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene
CID 113460184

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-amino-4-(2-chlorophenyl)-1-hydroxy-3-methylbutyl]phenol?
The IUPAC name of 2-[(1R,2R)-2-amino-4-(2-chlorophenyl)-1-hydroxy-3-methylbutyl]phenol (CID 67673760) is 2-[(1R,2R)-2-amino-4-(2-chlorophenyl)-1-hydroxy-3-methylbutyl]phenol.
What is the SMILES notation for 2-[(1R,2R)-2-amino-4-(2-chlorophenyl)-1-hydroxy-3-methylbutyl]phenol?
The canonical SMILES for 2-[(1R,2R)-2-amino-4-(2-chlorophenyl)-1-hydroxy-3-methylbutyl]phenol is CC(Cc1ccccc1Cl)[C@@H](N)[C@H](O)c1ccccc1O.
What is the InChIKey of 2-[(1R,2R)-2-amino-4-(2-chlorophenyl)-1-hydroxy-3-methylbutyl]phenol?
The InChIKey is MHJVOEGKEVTTAR-YSGDOOFJSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-11(10-12-6-2-4-8-14(12)18)16(19)17(21)13-7-3-5-9-15(13)20/h2-9,11,16-17,20-21H,10,19H2,1H3/t11?,16-,17-/m1/s1.
What are the key properties of 2-[(1R,2R)-2-amino-4-(2-chlorophenyl)-1-hydroxy-3-methylbutyl]phenol?
2-[(1R,2R)-2-amino-4-(2-chlorophenyl)-1-hydroxy-3-methylbutyl]phenol has a molecular weight of 305.81 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-amino-4-(2-chlorophenyl)-1-hydroxy-3-methylbutyl]phenol is sourced from PubChem (CID 67673760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).