N-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine

C15H14ClF2N — CID 62315704

IUPACN-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine
SMILESFc1cc(F)cc(CCNCc2cccc(Cl)c2)c1
InChIInChI=1S/C15H14ClF2N/c16-13-3-1-2-12(6-13)10-19-5-4-11-7-14(17)9-15(18)8-11/h1-3,6-9,19H,4-5,10H2
InChIKeyVBBJUHCOHBHMSW-UHFFFAOYSA-N
MW281.73 g/mol
LogP3.95
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine

N-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine (PubChem CID 62315704) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine
PubChem CID62315704
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine
SMILESFc1cc(F)cc(CCNCc2cccc(Cl)c2)c1
InChIInChI=1S/C15H14ClF2N/c16-13-3-1-2-12(6-13)10-19-5-4-11-7-14(17)9-15(18)8-11/h1-3,6-9,19H,4-5,10H2
InChIKeyVBBJUHCOHBHMSW-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 11958390
N-benzyl-2-(3-chlorophenyl)ethanamine
CID 39349071
2-(3,5-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 62316403
N-[(3-chlorophenyl)methyl]-2-fluoroethanamine
CID 80694369
2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 62315705
2-chloro-6-[[2-(3,5-difluorophenyl)ethylamino]methyl]phenol
CID 115905940
2-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 39380174
N-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910558
N-[2-(3-chlorophenyl)ethyl]-2-fluoro-2-methylpropan-1-amine
CID 83823795
N-[(3-chloro-5-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 114452144
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62315529
2,6-dichloro-N-[(3-chlorophenyl)methyl]-4-fluoroaniline
CID 83077123

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine (CID 62315704) is N-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine is Fc1cc(F)cc(CCNCc2cccc(Cl)c2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine?
The InChIKey is VBBJUHCOHBHMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c16-13-3-1-2-12(6-13)10-19-5-4-11-7-14(17)9-15(18)8-11/h1-3,6-9,19H,4-5,10H2.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine?
N-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine has a molecular weight of 281.73 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine is sourced from PubChem (CID 62315704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).