2-chloro-N-[(2,5-difluorophenyl)methyl]-1-phenylethanamine

C15H14ClF2N — CID 65025752

IUPAC2-chloro-N-[(2,5-difluorophenyl)methyl]-1-phenylethanamine
SMILESFc1ccc(F)c(CNC(CCl)c2ccccc2)c1
InChIInChI=1S/C15H14ClF2N/c16-9-15(11-4-2-1-3-5-11)19-10-12-8-13(17)6-7-14(12)18/h1-8,15,19H,9-10H2
InChIKeyBAUMKXKETJDZPM-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.03
Rot. Bonds5

About 2-chloro-N-[(2,5-difluorophenyl)methyl]-1-phenylethanamine

2-chloro-N-[(2,5-difluorophenyl)methyl]-1-phenylethanamine (PubChem CID 65025752) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is 2-chloro-N-[(2,5-difluorophenyl)methyl]-1-phenylethanamine.

Molecular Properties

Compound Name2-chloro-N-[(2,5-difluorophenyl)methyl]-1-phenylethanamine
PubChem CID65025752
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name2-chloro-N-[(2,5-difluorophenyl)methyl]-1-phenylethanamine
SMILESFc1ccc(F)c(CNC(CCl)c2ccccc2)c1
InChIInChI=1S/C15H14ClF2N/c16-9-15(11-4-2-1-3-5-11)19-10-12-8-13(17)6-7-14(12)18/h1-8,15,19H,9-10H2
InChIKeyBAUMKXKETJDZPM-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-1-phenylpentan-1-amine
CID 63793740
(1S)-N-[(2,5-difluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
CID 95265427
1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]butan-1-amine
CID 63795497
N-(2-chloro-1-phenylethyl)-2-(2,4-difluorophenyl)acetamide
CID 114300048
2-[(2,5-difluorophenyl)methylamino]-1-phenylethanol
CID 43499154
N-[(2,4-difluorophenyl)methyl]-1-phenylbutan-1-amine
CID 43222007
2-chloro-N-[(2,5-difluorophenyl)methyl]-2-phenylacetamide
CID 63795872
2-[(4-chloro-2-fluorophenyl)methylamino]-2-phenylethanol
CID 114750493
N-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-1-phenylbutan-1-amine
CID 43221916
1-[(2,5-difluorophenyl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111455268
N-[(2-chloro-4-fluorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 103605736
(2R)-2-[(2,5-difluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 104922865

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,5-difluorophenyl)methyl]-1-phenylethanamine?
The IUPAC name of 2-chloro-N-[(2,5-difluorophenyl)methyl]-1-phenylethanamine (CID 65025752) is 2-chloro-N-[(2,5-difluorophenyl)methyl]-1-phenylethanamine.
What is the SMILES notation for 2-chloro-N-[(2,5-difluorophenyl)methyl]-1-phenylethanamine?
The canonical SMILES for 2-chloro-N-[(2,5-difluorophenyl)methyl]-1-phenylethanamine is Fc1ccc(F)c(CNC(CCl)c2ccccc2)c1.
What is the InChIKey of 2-chloro-N-[(2,5-difluorophenyl)methyl]-1-phenylethanamine?
The InChIKey is BAUMKXKETJDZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c16-9-15(11-4-2-1-3-5-11)19-10-12-8-13(17)6-7-14(12)18/h1-8,15,19H,9-10H2.
What are the key properties of 2-chloro-N-[(2,5-difluorophenyl)methyl]-1-phenylethanamine?
2-chloro-N-[(2,5-difluorophenyl)methyl]-1-phenylethanamine has a molecular weight of 281.73 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,5-difluorophenyl)methyl]-1-phenylethanamine is sourced from PubChem (CID 65025752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).