1-(2-chlorophenyl)-2-(3-fluorophenyl)butan-2-amine

C16H17ClFN — CID 114872708

IUPAC1-(2-chlorophenyl)-2-(3-fluorophenyl)butan-2-amine
SMILESCCC(N)(Cc1ccccc1Cl)c1cccc(F)c1
InChIInChI=1S/C16H17ClFN/c1-2-16(19,13-7-5-8-14(18)10-13)11-12-6-3-4-9-15(12)17/h3-10H,2,11,19H2,1H3
InChIKeyYAOWHLUGXUXOKC-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.29
Rot. Bonds4

About 1-(2-chlorophenyl)-2-(3-fluorophenyl)butan-2-amine

1-(2-chlorophenyl)-2-(3-fluorophenyl)butan-2-amine (PubChem CID 114872708) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(3-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(3-fluorophenyl)butan-2-amine
PubChem CID114872708
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name1-(2-chlorophenyl)-2-(3-fluorophenyl)butan-2-amine
SMILESCCC(N)(Cc1ccccc1Cl)c1cccc(F)c1
InChIInChI=1S/C16H17ClFN/c1-2-16(19,13-7-5-8-14(18)10-13)11-12-6-3-4-9-15(12)17/h3-10H,2,11,19H2,1H3
InChIKeyYAOWHLUGXUXOKC-UHFFFAOYSA-N
XLogP4.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-fluorophenyl)-2-(3-fluorophenyl)butan-2-amine
CID 114872661
2-(3-fluorophenyl)-1-(4-propan-2-ylphenyl)butan-2-amine
CID 114872632
1-(5-fluoro-2-methylphenyl)-2-phenylbutan-2-amine
CID 105373090
2-(3-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 114872618
2-(3-fluorophenyl)-1-pyridin-3-ylbutan-2-amine
CID 114872773
2-(3-fluorophenyl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine
CID 114872762
1-(3-fluorophenyl)-1-(2-methylphenyl)propan-1-amine
CID 114872777
2-[(2,3-dichlorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol
CID 107310874
1-(3-chloro-4-pyridinyl)-2-(3-fluorophenyl)butan-2-ol
CID 114872585
1-(2,6-dichlorophenyl)-2-(2-fluorophenyl)butan-2-amine
CID 115996407
1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)propan-2-amine
CID 55096491
2-(2-chlorophenyl)-1,1-difluoroethanamine;hydrochloride
CID 67811893

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(3-fluorophenyl)butan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-2-(3-fluorophenyl)butan-2-amine (CID 114872708) is 1-(2-chlorophenyl)-2-(3-fluorophenyl)butan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(3-fluorophenyl)butan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-2-(3-fluorophenyl)butan-2-amine is CCC(N)(Cc1ccccc1Cl)c1cccc(F)c1.
What is the InChIKey of 1-(2-chlorophenyl)-2-(3-fluorophenyl)butan-2-amine?
The InChIKey is YAOWHLUGXUXOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-2-16(19,13-7-5-8-14(18)10-13)11-12-6-3-4-9-15(12)17/h3-10H,2,11,19H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-(3-fluorophenyl)butan-2-amine?
1-(2-chlorophenyl)-2-(3-fluorophenyl)butan-2-amine has a molecular weight of 277.77 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(3-fluorophenyl)butan-2-amine is sourced from PubChem (CID 114872708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).