1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]butan-1-amine

C17H18ClF2N — CID 63795497

IUPAC1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]butan-1-amine
SMILESCCCC(NCc1cc(F)ccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClF2N/c1-2-3-17(12-4-6-14(18)7-5-12)21-11-13-10-15(19)8-9-16(13)20/h4-10,17,21H,2-3,11H2,1H3
InChIKeyCCVGTCAWBUUKKM-UHFFFAOYSA-N
MW309.79 g/mol
LogP5.25
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]butan-1-amine

1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]butan-1-amine (PubChem CID 63795497) has the molecular formula C17H18ClF2N and a molecular weight of 309.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]butan-1-amine
PubChem CID63795497
Molecular FormulaC17H18ClF2N
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]butan-1-amine
SMILESCCCC(NCc1cc(F)ccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClF2N/c1-2-3-17(12-4-6-14(18)7-5-12)21-11-13-10-15(19)8-9-16(13)20/h4-10,17,21H,2-3,11H2,1H3
InChIKeyCCVGTCAWBUUKKM-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.79
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-1-phenylpentan-1-amine
CID 63793740
N-[(2,4-difluorophenyl)methyl]-1-phenylbutan-1-amine
CID 43222007
N-[(2,5-difluorophenyl)methyl]hexan-3-amine
CID 62119463
1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]butan-1-amine
CID 63450778
2-chloro-N-[(2,5-difluorophenyl)methyl]-1-phenylethanamine
CID 65025752
N-[1-(4-chlorophenyl)butyl]-4-fluoro-2-methoxyaniline
CID 63454836
N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine
CID 17156263
N-[(2,5-difluorophenyl)methyl]hex-1-yn-3-amine
CID 106227080
1-(4-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]butan-1-amine
CID 81351612
N-[(2,5-difluorophenyl)methyl]hexan-2-amine
CID 62196749
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 102615832
N-[(2,5-difluorophenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 62048772

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]butan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]butan-1-amine (CID 63795497) is 1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]butan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]butan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]butan-1-amine is CCCC(NCc1cc(F)ccc1F)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]butan-1-amine?
The InChIKey is CCVGTCAWBUUKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2N/c1-2-3-17(12-4-6-14(18)7-5-12)21-11-13-10-15(19)8-9-16(13)20/h4-10,17,21H,2-3,11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]butan-1-amine?
1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]butan-1-amine has a molecular weight of 309.79 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]butan-1-amine is sourced from PubChem (CID 63795497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).