N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine

C15H14ClF2N — CID 62538091

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
SMILESCc1cc(CNCc2ccc(F)c(Cl)c2)ccc1F
InChIInChI=1S/C15H14ClF2N/c1-10-6-11(2-4-14(10)17)8-19-9-12-3-5-15(18)13(16)7-12/h2-7,19H,8-9H2,1H3
InChIKeyPPACIICVUQOKKN-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.22
Rot. Bonds4

About N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine

N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine (PubChem CID 62538091) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
PubChem CID62538091
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
SMILESCc1cc(CNCc2ccc(F)c(Cl)c2)ccc1F
InChIInChI=1S/C15H14ClF2N/c1-10-6-11(2-4-14(10)17)8-19-9-12-3-5-15(18)13(16)7-12/h2-7,19H,8-9H2,1H3
InChIKeyPPACIICVUQOKKN-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 55244423
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-chloro-4-methoxyphenyl)methanamine
CID 65021339
N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 60711247
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 60615931
1-(3-chloro-4-fluorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]methanamine
CID 62537761
N'-[(3-chloro-4-fluorophenyl)methyl]-N-methylethane-1,2-diamine;ethane
CID 144872416
3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 24581072
2,2,2-trifluoro-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 62120717
N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)ethanamine
CID 81143847
1-(3-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine
CID 60705124

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine (CID 62538091) is N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine is Cc1cc(CNCc2ccc(F)c(Cl)c2)ccc1F.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine?
The InChIKey is PPACIICVUQOKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-10-6-11(2-4-14(10)17)8-19-9-12-3-5-15(18)13(16)7-12/h2-7,19H,8-9H2,1H3.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine?
N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine has a molecular weight of 281.73 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 62538091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).