N-[(2,4-difluorophenyl)methyl]-1-phenylbutan-1-amine

C17H19F2N — CID 43222007

IUPACN-[(2,4-difluorophenyl)methyl]-1-phenylbutan-1-amine
SMILESCCCC(NCc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C17H19F2N/c1-2-6-17(13-7-4-3-5-8-13)20-12-14-9-10-15(18)11-16(14)19/h3-5,7-11,17,20H,2,6,12H2,1H3
InChIKeyOTGKWGZSFOMNGL-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.60
Rot. Bonds6

About N-[(2,4-difluorophenyl)methyl]-1-phenylbutan-1-amine

N-[(2,4-difluorophenyl)methyl]-1-phenylbutan-1-amine (PubChem CID 43222007) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-phenylbutan-1-amine
PubChem CID43222007
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-phenylbutan-1-amine
SMILESCCCC(NCc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C17H19F2N/c1-2-6-17(13-7-4-3-5-8-13)20-12-14-9-10-15(18)11-16(14)19/h3-5,7-11,17,20H,2,6,12H2,1H3
InChIKeyOTGKWGZSFOMNGL-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine
CID 17156263
N-[(2,5-difluorophenyl)methyl]-1-phenylpentan-1-amine
CID 63793740
N-[(2,4-difluorophenyl)methyl]pentan-2-amine
CID 43177713
1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]butan-1-amine
CID 63795497
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155781
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17155780
N-[(3-bromo-4-fluorophenyl)methyl]-1-phenylbutan-1-amine
CID 43222005
1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 17156114
2-chloro-N-[(2,5-difluorophenyl)methyl]-1-phenylethanamine
CID 65025752
N-[2-(2-fluorophenyl)ethyl]-1-phenylbutan-1-amine
CID 43108094
N-[(2,4-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057095
N-[(2,4-difluorophenyl)methyl]butan-2-amine
CID 43177291

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-phenylbutan-1-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-phenylbutan-1-amine (CID 43222007) is N-[(2,4-difluorophenyl)methyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-phenylbutan-1-amine is CCCC(NCc1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-phenylbutan-1-amine?
The InChIKey is OTGKWGZSFOMNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-2-6-17(13-7-4-3-5-8-13)20-12-14-9-10-15(18)11-16(14)19/h3-5,7-11,17,20H,2,6,12H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-phenylbutan-1-amine?
N-[(2,4-difluorophenyl)methyl]-1-phenylbutan-1-amine has a molecular weight of 275.34 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 43222007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).