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

C17H18Cl2FNO — CID 67672750

IUPAC(1R)-1-amino-3-(3-chloro-2-fluorophenyl)-4-(2-chlorophenyl)-3-methylbutan-1-ol
SMILESCC(Cc1ccccc1Cl)(C[C@H](N)O)c1cccc(Cl)c1F
InChIInChI=1S/C17H18Cl2FNO/c1-17(10-15(21)22,9-11-5-2-3-7-13(11)18)12-6-4-8-14(19)16(12)20/h2-8,15,22H,9-10,21H2,1H3/t15-,17?/m1/s1
InChIKeyPICISVUHBKRALS-LDCVWXEPSA-N
MW342.24 g/mol
LogP4.30
Rot. Bonds5

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

(1R)-1-amino-3-(3-chloro-2-fluorophenyl)-4-(2-chlorophenyl)-3-methylbutan-1-ol (PubChem CID 67672750) has the molecular formula C17H18Cl2FNO and a molecular weight of 342.24 g/mol. Its IUPAC name is (1R)-1-amino-3-(3-chloro-2-fluorophenyl)-4-(2-chlorophenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name(1R)-1-amino-3-(3-chloro-2-fluorophenyl)-4-(2-chlorophenyl)-3-methylbutan-1-ol
PubChem CID67672750
Molecular FormulaC17H18Cl2FNO
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name(1R)-1-amino-3-(3-chloro-2-fluorophenyl)-4-(2-chlorophenyl)-3-methylbutan-1-ol
SMILESCC(Cc1ccccc1Cl)(C[C@H](N)O)c1cccc(Cl)c1F
InChIInChI=1S/C17H18Cl2FNO/c1-17(10-15(21)22,9-11-5-2-3-7-13(11)18)12-6-4-8-14(19)16(12)20/h2-8,15,22H,9-10,21H2,1H3/t15-,17?/m1/s1
InChIKeyPICISVUHBKRALS-LDCVWXEPSA-N
XLogP4.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.30
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-3-(3-chloro-2-fluorophenyl)-4-(2-chlorophenyl)-3-methylbutan-1-ol?
The IUPAC name of (1R)-1-amino-3-(3-chloro-2-fluorophenyl)-4-(2-chlorophenyl)-3-methylbutan-1-ol (CID 67672750) is (1R)-1-amino-3-(3-chloro-2-fluorophenyl)-4-(2-chlorophenyl)-3-methylbutan-1-ol.
What is the SMILES notation for (1R)-1-amino-3-(3-chloro-2-fluorophenyl)-4-(2-chlorophenyl)-3-methylbutan-1-ol?
The canonical SMILES for (1R)-1-amino-3-(3-chloro-2-fluorophenyl)-4-(2-chlorophenyl)-3-methylbutan-1-ol is CC(Cc1ccccc1Cl)(C[C@H](N)O)c1cccc(Cl)c1F.
What is the InChIKey of (1R)-1-amino-3-(3-chloro-2-fluorophenyl)-4-(2-chlorophenyl)-3-methylbutan-1-ol?
The InChIKey is PICISVUHBKRALS-LDCVWXEPSA-N. The full InChI is InChI=1S/C17H18Cl2FNO/c1-17(10-15(21)22,9-11-5-2-3-7-13(11)18)12-6-4-8-14(19)16(12)20/h2-8,15,22H,9-10,21H2,1H3/t15-,17?/m1/s1.
What are the key properties of (1R)-1-amino-3-(3-chloro-2-fluorophenyl)-4-(2-chlorophenyl)-3-methylbutan-1-ol?
(1R)-1-amino-3-(3-chloro-2-fluorophenyl)-4-(2-chlorophenyl)-3-methylbutan-1-ol has a molecular weight of 342.24 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-amino-3-(3-chloro-2-fluorophenyl)-4-(2-chlorophenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 67672750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).