2-(aminomethyl)-4-chloro-N-methyl-N-(2-phenylethyl)aniline

C16H19ClN2 — CID 65485061

IUPAC2-(aminomethyl)-4-chloro-N-methyl-N-(2-phenylethyl)aniline
SMILESCN(CCc1ccccc1)c1ccc(Cl)cc1CN
InChIInChI=1S/C16H19ClN2/c1-19(10-9-13-5-3-2-4-6-13)16-8-7-15(17)11-14(16)12-18/h2-8,11H,9-10,12,18H2,1H3
InChIKeyZFSVCHFGPKYFNT-UHFFFAOYSA-N
MW274.80 g/mol
LogP3.48
Rot. Bonds5

About 2-(aminomethyl)-4-chloro-N-methyl-N-(2-phenylethyl)aniline

2-(aminomethyl)-4-chloro-N-methyl-N-(2-phenylethyl)aniline (PubChem CID 65485061) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 2-(aminomethyl)-4-chloro-N-methyl-N-(2-phenylethyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-4-chloro-N-methyl-N-(2-phenylethyl)aniline
PubChem CID65485061
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name2-(aminomethyl)-4-chloro-N-methyl-N-(2-phenylethyl)aniline
SMILESCN(CCc1ccccc1)c1ccc(Cl)cc1CN
InChIInChI=1S/C16H19ClN2/c1-19(10-9-13-5-3-2-4-6-13)16-8-7-15(17)11-14(16)12-18/h2-8,11H,9-10,12,18H2,1H3
InChIKeyZFSVCHFGPKYFNT-UHFFFAOYSA-N
XLogP3.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline
CID 114851960
2-(aminomethyl)-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 62492965
2-[2-(aminomethyl)-4-chloro-N-methylanilino]acetamide
CID 62495000
4-chloro-2-N-methyl-2-N-(3-phenylpropyl)benzene-1,2-diamine
CID 115468658
4-chloro-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 65486843
2-(aminomethyl)-4-chloro-N-methyl-N-(2-methylphenyl)aniline
CID 62493495
2-(2-aminoethyl)-5-bromo-N-methyl-N-(2-phenylethyl)aniline
CID 65486388
2-(2-aminoethyl)-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 114861541
2-(2-aminoethyl)-4-chloro-N-methyl-N-(2-methylpropyl)aniline
CID 114860497
3-chloro-1-N-methyl-1-N-(2-phenylethyl)benzene-1,2-diamine
CID 113458658
4-chloro-2-[[methyl(3-phenylpropyl)amino]methyl]aniline
CID 79582235
2-(aminomethyl)-4-chloro-N-cyclopropyl-N-methylaniline
CID 62493641

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-chloro-N-methyl-N-(2-phenylethyl)aniline?
The IUPAC name of 2-(aminomethyl)-4-chloro-N-methyl-N-(2-phenylethyl)aniline (CID 65485061) is 2-(aminomethyl)-4-chloro-N-methyl-N-(2-phenylethyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-4-chloro-N-methyl-N-(2-phenylethyl)aniline?
The canonical SMILES for 2-(aminomethyl)-4-chloro-N-methyl-N-(2-phenylethyl)aniline is CN(CCc1ccccc1)c1ccc(Cl)cc1CN.
What is the InChIKey of 2-(aminomethyl)-4-chloro-N-methyl-N-(2-phenylethyl)aniline?
The InChIKey is ZFSVCHFGPKYFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-19(10-9-13-5-3-2-4-6-13)16-8-7-15(17)11-14(16)12-18/h2-8,11H,9-10,12,18H2,1H3.
What are the key properties of 2-(aminomethyl)-4-chloro-N-methyl-N-(2-phenylethyl)aniline?
2-(aminomethyl)-4-chloro-N-methyl-N-(2-phenylethyl)aniline has a molecular weight of 274.80 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-chloro-N-methyl-N-(2-phenylethyl)aniline is sourced from PubChem (CID 65485061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).