N-[(3-chloro-4-fluorophenyl)methyl]ethanamine

C9H11ClFN — CID 62538918

IUPACN-[(3-chloro-4-fluorophenyl)methyl]ethanamine
SMILESCCNCc1ccc(F)c(Cl)c1
InChIInChI=1S/C9H11ClFN/c1-2-12-6-7-3-4-9(11)8(10)5-7/h3-5,12H,2,6H2,1H3
InChIKeyNZESHMHIHLMUFX-UHFFFAOYSA-N
MW187.65 g/mol
LogP2.59
Rot. Bonds3

About N-[(3-chloro-4-fluorophenyl)methyl]ethanamine

N-[(3-chloro-4-fluorophenyl)methyl]ethanamine (PubChem CID 62538918) has the molecular formula C9H11ClFN and a molecular weight of 187.65 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]ethanamine
PubChem CID62538918
Molecular FormulaC9H11ClFN
Molecular Weight187.65 g/mol
Exact Mass187.06
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]ethanamine
SMILESCCNCc1ccc(F)c(Cl)c1
InChIInChI=1S/C9H11ClFN/c1-2-12-6-7-3-4-9(11)8(10)5-7/h3-5,12H,2,6H2,1H3
InChIKeyNZESHMHIHLMUFX-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 62538091
N-[(3-chloro-4-fluorophenyl)methyl]-2-ethylbutan-1-amine
CID 62537604
N-[(3-chloro-4-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62538415
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 55244423
N'-[(3-chloro-4-fluorophenyl)methyl]-N-methylethane-1,2-diamine;ethane
CID 144872416
(2S)-4-[(3-chloro-4-fluorophenyl)methylamino]butan-2-ol
CID 97053093
(Z)-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylprop-2-en-1-amine
CID 106437714
ethyl 2-[(3-chloro-4-fluorophenyl)methylamino]acetate
CID 62537294
N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)ethanamine
CID 81143847
3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]phenol
CID 55087063
2-bromo-N-[(3-chloro-4-fluorophenyl)methyl]prop-2-en-1-amine
CID 62537461

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]ethanamine (CID 62538918) is N-[(3-chloro-4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]ethanamine is CCNCc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]ethanamine?
The InChIKey is NZESHMHIHLMUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN/c1-2-12-6-7-3-4-9(11)8(10)5-7/h3-5,12H,2,6H2,1H3.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]ethanamine?
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine has a molecular weight of 187.65 g/mol, XLogP of 2.59, 3 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]ethanamine is sourced from PubChem (CID 62538918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).