(1R,2R)-2-amino-4-(2-chlorophenyl)-1-(3-chlorophenyl)-3-methylbutan-1-ol

C17H19Cl2NO — CID 67673909

IUPAC(1R,2R)-2-amino-4-(2-chlorophenyl)-1-(3-chlorophenyl)-3-methylbutan-1-ol
SMILESCC(Cc1ccccc1Cl)[C@@H](N)[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C17H19Cl2NO/c1-11(9-12-5-2-3-8-15(12)19)16(20)17(21)13-6-4-7-14(18)10-13/h2-8,10-11,16-17,21H,9,20H2,1H3/t11?,16-,17-/m1/s1
InChIKeyNXSYTCJEVOHYHM-YSGDOOFJSA-N
MW324.25 g/mol
LogP4.23
Rot. Bonds5

About (1R,2R)-2-amino-4-(2-chlorophenyl)-1-(3-chlorophenyl)-3-methylbutan-1-ol

(1R,2R)-2-amino-4-(2-chlorophenyl)-1-(3-chlorophenyl)-3-methylbutan-1-ol (PubChem CID 67673909) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is (1R,2R)-2-amino-4-(2-chlorophenyl)-1-(3-chlorophenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-amino-4-(2-chlorophenyl)-1-(3-chlorophenyl)-3-methylbutan-1-ol
PubChem CID67673909
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name(1R,2R)-2-amino-4-(2-chlorophenyl)-1-(3-chlorophenyl)-3-methylbutan-1-ol
SMILESCC(Cc1ccccc1Cl)[C@@H](N)[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C17H19Cl2NO/c1-11(9-12-5-2-3-8-15(12)19)16(20)17(21)13-6-4-7-14(18)10-13/h2-8,10-11,16-17,21H,9,20H2,1H3/t11?,16-,17-/m1/s1
InChIKeyNXSYTCJEVOHYHM-YSGDOOFJSA-N
XLogP4.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-(2-chlorophenyl)-1-(3,4-dichlorophenyl)-3-methylbutan-1-ol
CID 67673658
2-amino-4-(2-chlorophenyl)-3-methyl-1-(2-methylphenyl)butan-1-ol
CID 67672020
2-[(1R,2R)-2-amino-4-(2-chlorophenyl)-1-hydroxy-3-methylbutyl]phenol
CID 67673760
(1R,2R)-2-amino-1-(3-chlorophenyl)-4-(3-methoxyphenyl)-3-methylbutan-1-ol
CID 67671579
4-[3-amino-4-(3-chlorophenyl)-4-hydroxy-2-methylbutyl]benzamide
CID 67671664
(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759
(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743755
(1R)-1-(3-chlorophenyl)-2-methylpropan-1-ol
CID 93312224
1-chloro-2-(2,3-dimethylbutyl)benzene
CID 123440272
2-amino-1-(3-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 123406451
(2R)-2-amino-1-(3-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 89490748
1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 43178091

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-amino-4-(2-chlorophenyl)-1-(3-chlorophenyl)-3-methylbutan-1-ol?
The IUPAC name of (1R,2R)-2-amino-4-(2-chlorophenyl)-1-(3-chlorophenyl)-3-methylbutan-1-ol (CID 67673909) is (1R,2R)-2-amino-4-(2-chlorophenyl)-1-(3-chlorophenyl)-3-methylbutan-1-ol.
What is the SMILES notation for (1R,2R)-2-amino-4-(2-chlorophenyl)-1-(3-chlorophenyl)-3-methylbutan-1-ol?
The canonical SMILES for (1R,2R)-2-amino-4-(2-chlorophenyl)-1-(3-chlorophenyl)-3-methylbutan-1-ol is CC(Cc1ccccc1Cl)[C@@H](N)[C@H](O)c1cccc(Cl)c1.
What is the InChIKey of (1R,2R)-2-amino-4-(2-chlorophenyl)-1-(3-chlorophenyl)-3-methylbutan-1-ol?
The InChIKey is NXSYTCJEVOHYHM-YSGDOOFJSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-11(9-12-5-2-3-8-15(12)19)16(20)17(21)13-6-4-7-14(18)10-13/h2-8,10-11,16-17,21H,9,20H2,1H3/t11?,16-,17-/m1/s1.
What are the key properties of (1R,2R)-2-amino-4-(2-chlorophenyl)-1-(3-chlorophenyl)-3-methylbutan-1-ol?
(1R,2R)-2-amino-4-(2-chlorophenyl)-1-(3-chlorophenyl)-3-methylbutan-1-ol has a molecular weight of 324.25 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-amino-4-(2-chlorophenyl)-1-(3-chlorophenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 67673909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).