4-(aminomethyl)-3-chloro-N-[(3-fluorophenyl)methyl]-N-methylaniline

C15H16ClFN2 — CID 62945834

IUPAC4-(aminomethyl)-3-chloro-N-[(3-fluorophenyl)methyl]-N-methylaniline
SMILESCN(Cc1cccc(F)c1)c1ccc(CN)c(Cl)c1
InChIInChI=1S/C15H16ClFN2/c1-19(10-11-3-2-4-13(17)7-11)14-6-5-12(9-18)15(16)8-14/h2-8H,9-10,18H2,1H3
InChIKeyCQKNEFBJMGCLTI-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.57
Rot. Bonds4

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

4-(aminomethyl)-3-chloro-N-[(3-fluorophenyl)methyl]-N-methylaniline (PubChem CID 62945834) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chloro-N-[(3-fluorophenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-chloro-N-[(3-fluorophenyl)methyl]-N-methylaniline
PubChem CID62945834
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name4-(aminomethyl)-3-chloro-N-[(3-fluorophenyl)methyl]-N-methylaniline
SMILESCN(Cc1cccc(F)c1)c1ccc(CN)c(Cl)c1
InChIInChI=1S/C15H16ClFN2/c1-19(10-11-3-2-4-13(17)7-11)14-6-5-12(9-18)15(16)8-14/h2-8H,9-10,18H2,1H3
InChIKeyCQKNEFBJMGCLTI-UHFFFAOYSA-N
XLogP3.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-3-chloro-N-(3-fluorophenyl)-N-methylaniline
CID 113230359
4-(2-aminoethyl)-N-[(3-fluorophenyl)methyl]-N,3-dimethylaniline
CID 63784239
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-fluoro-N-methylaniline
CID 102662908
2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 43313878
2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 62300674
4-(chloromethyl)-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 28946499
4-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 55154692
4-[(1S)-1-aminoethyl]-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 28802643
2-fluoro-4-[(3-fluorophenyl)methyl-methylamino]benzoic acid
CID 115485286
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline
CID 61413469
4-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 107274760
[5-chloro-2-[(3-fluorophenyl)methyl-methylamino]-4-pyridinyl]methanol
CID 114920211

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chloro-N-[(3-fluorophenyl)methyl]-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-3-chloro-N-[(3-fluorophenyl)methyl]-N-methylaniline (CID 62945834) is 4-(aminomethyl)-3-chloro-N-[(3-fluorophenyl)methyl]-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-3-chloro-N-[(3-fluorophenyl)methyl]-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-3-chloro-N-[(3-fluorophenyl)methyl]-N-methylaniline is CN(Cc1cccc(F)c1)c1ccc(CN)c(Cl)c1.
What is the InChIKey of 4-(aminomethyl)-3-chloro-N-[(3-fluorophenyl)methyl]-N-methylaniline?
The InChIKey is CQKNEFBJMGCLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-19(10-11-3-2-4-13(17)7-11)14-6-5-12(9-18)15(16)8-14/h2-8H,9-10,18H2,1H3.
What are the key properties of 4-(aminomethyl)-3-chloro-N-[(3-fluorophenyl)methyl]-N-methylaniline?
4-(aminomethyl)-3-chloro-N-[(3-fluorophenyl)methyl]-N-methylaniline has a molecular weight of 278.76 g/mol, XLogP of 3.57, 4 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)methyl]-N-methylaniline is sourced from PubChem (CID 62945834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).