2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-fluoro-N-methylaniline

C15H16ClFN2 — CID 61414753

IUPAC2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-fluoro-N-methylaniline
SMILESCN(Cc1ccc(Cl)cc1)c1ccc(F)cc1CN
InChIInChI=1S/C15H16ClFN2/c1-19(10-11-2-4-13(16)5-3-11)15-7-6-14(17)8-12(15)9-18/h2-8H,9-10,18H2,1H3
InChIKeyCDFNKQKLPLYHAV-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.57
Rot. Bonds4

About 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-fluoro-N-methylaniline

2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-fluoro-N-methylaniline (PubChem CID 61414753) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-fluoro-N-methylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-fluoro-N-methylaniline
PubChem CID61414753
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-fluoro-N-methylaniline
SMILESCN(Cc1ccc(Cl)cc1)c1ccc(F)cc1CN
InChIInChI=1S/C15H16ClFN2/c1-19(10-11-2-4-13(16)5-3-11)15-7-6-14(17)8-12(15)9-18/h2-8H,9-10,18H2,1H3
InChIKeyCDFNKQKLPLYHAV-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

2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 43313878
1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 61414834
2-(chloromethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 63540837
N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoro-N-methylaniline
CID 115213176
2-(2-aminoethyl)-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 114861541
2-(2-aminopropyl)-4-chloro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 114861654
2-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluoroaniline
CID 61414831
2-(aminomethyl)-4-fluoro-N-methyl-N-propylaniline
CID 43313967
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-4-fluoro-N-methylaniline
CID 61416296
2-(aminomethyl)-4-bromo-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 114889527
2-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 43314003
[4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64769510

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-fluoro-N-methylaniline?
The IUPAC name of 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-fluoro-N-methylaniline (CID 61414753) is 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-fluoro-N-methylaniline.
What is the SMILES notation for 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-fluoro-N-methylaniline?
The canonical SMILES for 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-fluoro-N-methylaniline is CN(Cc1ccc(Cl)cc1)c1ccc(F)cc1CN.
What is the InChIKey of 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-fluoro-N-methylaniline?
The InChIKey is CDFNKQKLPLYHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-19(10-11-2-4-13(16)5-3-11)15-7-6-14(17)8-12(15)9-18/h2-8H,9-10,18H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-fluoro-N-methylaniline?
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-fluoro-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 2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-fluoro-N-methylaniline is sourced from PubChem (CID 61414753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).