4-(4-chlorophenyl)-3-(3,5-difluorophenyl)-N-methylbutan-2-amine

C17H18ClF2N — CID 142807611

IUPAC4-(4-chlorophenyl)-3-(3,5-difluorophenyl)-N-methylbutan-2-amine
SMILESCNC(C)C(Cc1ccc(Cl)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C17H18ClF2N/c1-11(21-2)17(7-12-3-5-14(18)6-4-12)13-8-15(19)10-16(20)9-13/h3-6,8-11,17,21H,7H2,1-2H3
InChIKeyYDXMBNQHOMYZHL-UHFFFAOYSA-N
MW309.79 g/mol
LogP4.55
Rot. Bonds5

About 4-(4-chlorophenyl)-3-(3,5-difluorophenyl)-N-methylbutan-2-amine

4-(4-chlorophenyl)-3-(3,5-difluorophenyl)-N-methylbutan-2-amine (PubChem CID 142807611) has the molecular formula C17H18ClF2N and a molecular weight of 309.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-(3,5-difluorophenyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-(3,5-difluorophenyl)-N-methylbutan-2-amine
PubChem CID142807611
Molecular FormulaC17H18ClF2N
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name4-(4-chlorophenyl)-3-(3,5-difluorophenyl)-N-methylbutan-2-amine
SMILESCNC(C)C(Cc1ccc(Cl)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C17H18ClF2N/c1-11(21-2)17(7-12-3-5-14(18)6-4-12)13-8-15(19)10-16(20)9-13/h3-6,8-11,17,21H,7H2,1-2H3
InChIKeyYDXMBNQHOMYZHL-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(4-chlorophenyl)propan-2-yl]-3,5-difluorobenzene
CID 142807623
3-[1-(4-chlorophenyl)-3-(methylamino)butan-2-yl]benzonitrile
CID 142807526
2-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 54967680
1-(2-bromo-5-fluorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
CID 63413260
1-(4-bromo-3-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 63527917
1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105406135
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)-2-methylpropanamide
CID 22270527
(1S)-1-(4-chlorophenyl)-N-[1-(3,5-difluorophenyl)ethyl]ethanamine
CID 81352116
2-(4-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 43482863
3-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine
CID 79440300
1-(3-bromo-5-fluorophenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103040190
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-methylbutanamide
CID 10237327

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-(3,5-difluorophenyl)-N-methylbutan-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-3-(3,5-difluorophenyl)-N-methylbutan-2-amine (CID 142807611) is 4-(4-chlorophenyl)-3-(3,5-difluorophenyl)-N-methylbutan-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-3-(3,5-difluorophenyl)-N-methylbutan-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-3-(3,5-difluorophenyl)-N-methylbutan-2-amine is CNC(C)C(Cc1ccc(Cl)cc1)c1cc(F)cc(F)c1.
What is the InChIKey of 4-(4-chlorophenyl)-3-(3,5-difluorophenyl)-N-methylbutan-2-amine?
The InChIKey is YDXMBNQHOMYZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2N/c1-11(21-2)17(7-12-3-5-14(18)6-4-12)13-8-15(19)10-16(20)9-13/h3-6,8-11,17,21H,7H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-3-(3,5-difluorophenyl)-N-methylbutan-2-amine?
4-(4-chlorophenyl)-3-(3,5-difluorophenyl)-N-methylbutan-2-amine has a molecular weight of 309.79 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-(3,5-difluorophenyl)-N-methylbutan-2-amine is sourced from PubChem (CID 142807611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).