4-(aminomethyl)-3-chloro-N-(3-fluorophenyl)-N-methylaniline

C14H14ClFN2 — CID 113230359

IUPAC4-(aminomethyl)-3-chloro-N-(3-fluorophenyl)-N-methylaniline
SMILESCN(c1cccc(F)c1)c1ccc(CN)c(Cl)c1
InChIInChI=1S/C14H14ClFN2/c1-18(12-4-2-3-11(16)7-12)13-6-5-10(9-17)14(15)8-13/h2-8H,9,17H2,1H3
InChIKeyWINMLFVHJKBSSR-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.71
Rot. Bonds3

About 4-(aminomethyl)-3-chloro-N-(3-fluorophenyl)-N-methylaniline

4-(aminomethyl)-3-chloro-N-(3-fluorophenyl)-N-methylaniline (PubChem CID 113230359) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chloro-N-(3-fluorophenyl)-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-chloro-N-(3-fluorophenyl)-N-methylaniline
PubChem CID113230359
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name4-(aminomethyl)-3-chloro-N-(3-fluorophenyl)-N-methylaniline
SMILESCN(c1cccc(F)c1)c1ccc(CN)c(Cl)c1
InChIInChI=1S/C14H14ClFN2/c1-18(12-4-2-3-11(16)7-12)13-6-5-10(9-17)14(15)8-13/h2-8H,9,17H2,1H3
InChIKeyWINMLFVHJKBSSR-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

4-(aminomethyl)-3-chloro-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 62945834
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-fluoro-N-methylaniline
CID 102662908
N-[4-(2-aminoethyl)phenyl]-3-fluoro-N-methylaniline
CID 63786695
N-[4-(2-aminopropyl)phenyl]-3-fluoro-N-methylaniline
CID 63817401
N-[3-(aminomethyl)phenyl]-3-chloro-N,4-dimethylaniline
CID 117029123
4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 55152229
2-[4-(aminomethyl)-3-chloro-N-(2-hydroxyethyl)anilino]ethanol
CID 62946184
4-(aminomethyl)-N-(4-ethylphenyl)-3-fluoro-N-methylaniline
CID 115366816
1-(3-fluorophenyl)-1-methylhydrazine
CID 53400268
N-[4-(2-aminobutyl)phenyl]-3-fluoro-N-methylaniline
CID 63817579
4-(aminomethyl)-N-(3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine
CID 107541895
N-(chloromethyl)-3-fluoro-N-methylaniline
CID 115262926

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chloro-N-(3-fluorophenyl)-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-3-chloro-N-(3-fluorophenyl)-N-methylaniline (CID 113230359) is 4-(aminomethyl)-3-chloro-N-(3-fluorophenyl)-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-3-chloro-N-(3-fluorophenyl)-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-3-chloro-N-(3-fluorophenyl)-N-methylaniline is CN(c1cccc(F)c1)c1ccc(CN)c(Cl)c1.
What is the InChIKey of 4-(aminomethyl)-3-chloro-N-(3-fluorophenyl)-N-methylaniline?
The InChIKey is WINMLFVHJKBSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-18(12-4-2-3-11(16)7-12)13-6-5-10(9-17)14(15)8-13/h2-8H,9,17H2,1H3.
What are the key properties of 4-(aminomethyl)-3-chloro-N-(3-fluorophenyl)-N-methylaniline?
4-(aminomethyl)-3-chloro-N-(3-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)-3-chloro-N-(3-fluorophenyl)-N-methylaniline is sourced from PubChem (CID 113230359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).