(1R)-1-amino-4-(2-chlorophenyl)-3-methyl-3-[4-(trifluoromethyl)phenyl]butan-1-ol

C18H19ClF3NO — CID 67672825

IUPAC(1R)-1-amino-4-(2-chlorophenyl)-3-methyl-3-[4-(trifluoromethyl)phenyl]butan-1-ol
SMILESCC(Cc1ccccc1Cl)(C[C@H](N)O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19ClF3NO/c1-17(11-16(23)24,10-12-4-2-3-5-15(12)19)13-6-8-14(9-7-13)18(20,21)22/h2-9,16,24H,10-11,23H2,1H3/t16-,17?/m1/s1
InChIKeyIJEZXXLPMSCKCD-TZHYSIJRSA-N
MW357.80 g/mol
LogP4.53
Rot. Bonds5

About (1R)-1-amino-4-(2-chlorophenyl)-3-methyl-3-[4-(trifluoromethyl)phenyl]butan-1-ol

(1R)-1-amino-4-(2-chlorophenyl)-3-methyl-3-[4-(trifluoromethyl)phenyl]butan-1-ol (PubChem CID 67672825) has the molecular formula C18H19ClF3NO and a molecular weight of 357.80 g/mol. Its IUPAC name is (1R)-1-amino-4-(2-chlorophenyl)-3-methyl-3-[4-(trifluoromethyl)phenyl]butan-1-ol.

Molecular Properties

Compound Name(1R)-1-amino-4-(2-chlorophenyl)-3-methyl-3-[4-(trifluoromethyl)phenyl]butan-1-ol
PubChem CID67672825
Molecular FormulaC18H19ClF3NO
Molecular Weight357.80 g/mol
Exact Mass357.11
IUPAC Name(1R)-1-amino-4-(2-chlorophenyl)-3-methyl-3-[4-(trifluoromethyl)phenyl]butan-1-ol
SMILESCC(Cc1ccccc1Cl)(C[C@H](N)O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19ClF3NO/c1-17(11-16(23)24,10-12-4-2-3-5-15(12)19)13-6-8-14(9-7-13)18(20,21)22/h2-9,16,24H,10-11,23H2,1H3/t16-,17?/m1/s1
InChIKeyIJEZXXLPMSCKCD-TZHYSIJRSA-N
XLogP4.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 54.53
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-methyl-3-[4-(trifluoromethyl)phenyl]butan-1-ol?
The IUPAC name of (1R)-1-amino-4-(2-chlorophenyl)-3-methyl-3-[4-(trifluoromethyl)phenyl]butan-1-ol (CID 67672825) is (1R)-1-amino-4-(2-chlorophenyl)-3-methyl-3-[4-(trifluoromethyl)phenyl]butan-1-ol.
What is the SMILES notation for (1R)-1-amino-4-(2-chlorophenyl)-3-methyl-3-[4-(trifluoromethyl)phenyl]butan-1-ol?
The canonical SMILES for (1R)-1-amino-4-(2-chlorophenyl)-3-methyl-3-[4-(trifluoromethyl)phenyl]butan-1-ol is CC(Cc1ccccc1Cl)(C[C@H](N)O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (1R)-1-amino-4-(2-chlorophenyl)-3-methyl-3-[4-(trifluoromethyl)phenyl]butan-1-ol?
The InChIKey is IJEZXXLPMSCKCD-TZHYSIJRSA-N. The full InChI is InChI=1S/C18H19ClF3NO/c1-17(11-16(23)24,10-12-4-2-3-5-15(12)19)13-6-8-14(9-7-13)18(20,21)22/h2-9,16,24H,10-11,23H2,1H3/t16-,17?/m1/s1.
What are the key properties of (1R)-1-amino-4-(2-chlorophenyl)-3-methyl-3-[4-(trifluoromethyl)phenyl]butan-1-ol?
(1R)-1-amino-4-(2-chlorophenyl)-3-methyl-3-[4-(trifluoromethyl)phenyl]butan-1-ol has a molecular weight of 357.80 g/mol, XLogP of 4.53, 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-methyl-3-[4-(trifluoromethyl)phenyl]butan-1-ol is sourced from PubChem (CID 67672825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).