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

C17H19Cl2NO — CID 67672937

IUPAC(1R)-1-amino-4-(2-chlorophenyl)-3-(4-chlorophenyl)-3-methylbutan-1-ol
SMILESCC(Cc1ccccc1Cl)(C[C@H](N)O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19Cl2NO/c1-17(11-16(20)21,13-6-8-14(18)9-7-13)10-12-4-2-3-5-15(12)19/h2-9,16,21H,10-11,20H2,1H3/t16-,17?/m1/s1
InChIKeyWYDVLWVKSBJQKY-TZHYSIJRSA-N
MW324.25 g/mol
LogP4.16
Rot. Bonds5

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

(1R)-1-amino-4-(2-chlorophenyl)-3-(4-chlorophenyl)-3-methylbutan-1-ol (PubChem CID 67672937) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is (1R)-1-amino-4-(2-chlorophenyl)-3-(4-chlorophenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name(1R)-1-amino-4-(2-chlorophenyl)-3-(4-chlorophenyl)-3-methylbutan-1-ol
PubChem CID67672937
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name(1R)-1-amino-4-(2-chlorophenyl)-3-(4-chlorophenyl)-3-methylbutan-1-ol
SMILESCC(Cc1ccccc1Cl)(C[C@H](N)O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19Cl2NO/c1-17(11-16(20)21,13-6-8-14(18)9-7-13)10-12-4-2-3-5-15(12)19/h2-9,16,21H,10-11,20H2,1H3/t16-,17?/m1/s1
InChIKeyWYDVLWVKSBJQKY-TZHYSIJRSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-amino-4-(2-chlorophenyl)-3-(4-chlorophenyl)-3-methylbutan-1-ol?
The IUPAC name of (1R)-1-amino-4-(2-chlorophenyl)-3-(4-chlorophenyl)-3-methylbutan-1-ol (CID 67672937) is (1R)-1-amino-4-(2-chlorophenyl)-3-(4-chlorophenyl)-3-methylbutan-1-ol.
What is the SMILES notation for (1R)-1-amino-4-(2-chlorophenyl)-3-(4-chlorophenyl)-3-methylbutan-1-ol?
The canonical SMILES for (1R)-1-amino-4-(2-chlorophenyl)-3-(4-chlorophenyl)-3-methylbutan-1-ol is CC(Cc1ccccc1Cl)(C[C@H](N)O)c1ccc(Cl)cc1.
What is the InChIKey of (1R)-1-amino-4-(2-chlorophenyl)-3-(4-chlorophenyl)-3-methylbutan-1-ol?
The InChIKey is WYDVLWVKSBJQKY-TZHYSIJRSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-17(11-16(20)21,13-6-8-14(18)9-7-13)10-12-4-2-3-5-15(12)19/h2-9,16,21H,10-11,20H2,1H3/t16-,17?/m1/s1.
What are the key properties of (1R)-1-amino-4-(2-chlorophenyl)-3-(4-chlorophenyl)-3-methylbutan-1-ol?
(1R)-1-amino-4-(2-chlorophenyl)-3-(4-chlorophenyl)-3-methylbutan-1-ol has a molecular weight of 324.25 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-amino-4-(2-chlorophenyl)-3-(4-chlorophenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 67672937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).