2-chloro-N-[(2,3-difluorophenyl)methyl]-2-phenylethanamine

C15H14ClF2N — CID 65026626

IUPAC2-chloro-N-[(2,3-difluorophenyl)methyl]-2-phenylethanamine
SMILESFc1cccc(CNCC(Cl)c2ccccc2)c1F
InChIInChI=1S/C15H14ClF2N/c16-13(11-5-2-1-3-6-11)10-19-9-12-7-4-8-14(17)15(12)18/h1-8,13,19H,9-10H2
InChIKeyQTVHMHACDDAYMM-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.03
Rot. Bonds5

About 2-chloro-N-[(2,3-difluorophenyl)methyl]-2-phenylethanamine

2-chloro-N-[(2,3-difluorophenyl)methyl]-2-phenylethanamine (PubChem CID 65026626) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is 2-chloro-N-[(2,3-difluorophenyl)methyl]-2-phenylethanamine.

Molecular Properties

Compound Name2-chloro-N-[(2,3-difluorophenyl)methyl]-2-phenylethanamine
PubChem CID65026626
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name2-chloro-N-[(2,3-difluorophenyl)methyl]-2-phenylethanamine
SMILESFc1cccc(CNCC(Cl)c2ccccc2)c1F
InChIInChI=1S/C15H14ClF2N/c16-13(11-5-2-1-3-6-11)10-19-9-12-7-4-8-14(17)15(12)18/h1-8,13,19H,9-10H2
InChIKeyQTVHMHACDDAYMM-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

2-[(2,3-difluorophenyl)methylamino]-1-phenylethanol
CID 43425224
2-chloro-2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 65029705
N-[(2,3-difluorophenyl)methyl]-1-phenylmethanamine
CID 43424966
2-chloro-N-[(4-chlorophenyl)methyl]-2-phenylethanamine
CID 65026851
1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60923656
(3R)-3-[(2,3-difluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 111449890
N-[(2,3-difluorophenyl)methyl]-1-(3-fluorophenyl)methanamine
CID 43658821
1-(3-chloro-2-phenylpropyl)-2,3-difluorobenzene
CID 66033899
2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine
CID 60922653
1-[(2,3-difluorophenyl)methyl]-2-phenylhydrazine
CID 169384437
1-[3-(chloromethyl)phenyl]-N-[(2,3-difluorophenyl)methyl]methanamine
CID 65024863
2-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 110826413

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,3-difluorophenyl)methyl]-2-phenylethanamine?
The IUPAC name of 2-chloro-N-[(2,3-difluorophenyl)methyl]-2-phenylethanamine (CID 65026626) is 2-chloro-N-[(2,3-difluorophenyl)methyl]-2-phenylethanamine.
What is the SMILES notation for 2-chloro-N-[(2,3-difluorophenyl)methyl]-2-phenylethanamine?
The canonical SMILES for 2-chloro-N-[(2,3-difluorophenyl)methyl]-2-phenylethanamine is Fc1cccc(CNCC(Cl)c2ccccc2)c1F.
What is the InChIKey of 2-chloro-N-[(2,3-difluorophenyl)methyl]-2-phenylethanamine?
The InChIKey is QTVHMHACDDAYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c16-13(11-5-2-1-3-6-11)10-19-9-12-7-4-8-14(17)15(12)18/h1-8,13,19H,9-10H2.
What are the key properties of 2-chloro-N-[(2,3-difluorophenyl)methyl]-2-phenylethanamine?
2-chloro-N-[(2,3-difluorophenyl)methyl]-2-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-[(2,3-difluorophenyl)methyl]-2-phenylethanamine is sourced from PubChem (CID 65026626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).