4-(aminomethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline

C14H14ClFN2 — CID 78924390

IUPAC4-(aminomethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline
SMILESCN(c1ccc(F)cc1)c1ccc(CN)cc1Cl
InChIInChI=1S/C14H14ClFN2/c1-18(12-5-3-11(16)4-6-12)14-7-2-10(9-17)8-13(14)15/h2-8H,9,17H2,1H3
InChIKeyLQJZIOUVEOHPDB-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.71
Rot. Bonds3

About 4-(aminomethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline

4-(aminomethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline (PubChem CID 78924390) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 4-(aminomethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline
PubChem CID78924390
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name4-(aminomethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline
SMILESCN(c1ccc(F)cc1)c1ccc(CN)cc1Cl
InChIInChI=1S/C14H14ClFN2/c1-18(12-5-3-11(16)4-6-12)14-7-2-10(9-17)8-13(14)15/h2-8H,9,17H2,1H3
InChIKeyLQJZIOUVEOHPDB-UHFFFAOYSA-N
XLogP3.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(aminomethyl)phenyl]-2,5-difluoro-N-methylaniline
CID 117041619
4-(1-aminoethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline
CID 55131699
N-[4-(aminomethyl)phenyl]-3-chloro-N-methylpyridin-4-amine
CID 79840601
[3-chloro-4-(4-ethyl-N-methylanilino)phenyl]methanol
CID 81151814
1-N-(4-ethylphenyl)-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 62001859
4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline
CID 55209345
(3-chloro-4-fluorophenyl)methanamine;methoxymethane
CID 144849872
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-fluoro-N-methylaniline
CID 102662908
[4-(4-fluoro-N-methylanilino)-3-methylphenyl]methanol
CID 62120345
4-(aminomethyl)-2-bromo-N-(4-ethylphenyl)-N-methylaniline
CID 103871280
4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethylaniline
CID 60929562
4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)-N-methylaniline
CID 81052953

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline (CID 78924390) is 4-(aminomethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline is CN(c1ccc(F)cc1)c1ccc(CN)cc1Cl.
What is the InChIKey of 4-(aminomethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline?
The InChIKey is LQJZIOUVEOHPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-18(12-5-3-11(16)4-6-12)14-7-2-10(9-17)8-13(14)15/h2-8H,9,17H2,1H3.
What are the key properties of 4-(aminomethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline?
4-(aminomethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline has a molecular weight of 264.73 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline is sourced from PubChem (CID 78924390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).