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

C17H21ClN2 — CID 114851960

IUPAC4-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline
SMILESCNCc1cc(Cl)ccc1N(C)CCc1ccccc1
InChIInChI=1S/C17H21ClN2/c1-19-13-15-12-16(18)8-9-17(15)20(2)11-10-14-6-4-3-5-7-14/h3-9,12,19H,10-11,13H2,1-2H3
InChIKeyGZTLEOKRWNQVPT-UHFFFAOYSA-N
MW288.82 g/mol
LogP3.74
Rot. Bonds6

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

4-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline (PubChem CID 114851960) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 4-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline
PubChem CID114851960
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name4-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline
SMILESCNCc1cc(Cl)ccc1N(C)CCc1ccccc1
InChIInChI=1S/C17H21ClN2/c1-19-13-15-12-16(18)8-9-17(15)20(2)11-10-14-6-4-3-5-7-14/h3-9,12,19H,10-11,13H2,1-2H3
InChIKeyGZTLEOKRWNQVPT-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-4-chloro-N-methyl-N-(2-phenylethyl)aniline
CID 65485061
4-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]butan-2-ol
CID 114853635
3-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-methylpropanamide
CID 106916712
3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline
CID 65488208
N,2-dimethyl-5-(methylaminomethyl)-N-(2-phenylethyl)pyridin-4-amine
CID 81247455
N-benzyl-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
CID 43313736
4-chloro-2-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 114847708
2-chloro-N-methyl-4-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)aniline
CID 81148547
5-chloro-N-methyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline
CID 114852491
4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline
CID 114848022
4-chloro-N-ethyl-2-(methylaminomethyl)-N-propylaniline
CID 114847967
2-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,N-diethylacetamide
CID 114849406

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline?
The IUPAC name of 4-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline (CID 114851960) is 4-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline.
What is the SMILES notation for 4-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline?
The canonical SMILES for 4-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline is CNCc1cc(Cl)ccc1N(C)CCc1ccccc1.
What is the InChIKey of 4-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline?
The InChIKey is GZTLEOKRWNQVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-19-13-15-12-16(18)8-9-17(15)20(2)11-10-14-6-4-3-5-7-14/h3-9,12,19H,10-11,13H2,1-2H3.
What are the key properties of 4-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline?
4-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline has a molecular weight of 288.82 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline is sourced from PubChem (CID 114851960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).