2-(2-aminoethyl)-4-chloro-N-methyl-N-(2-methylpropyl)aniline

C13H21ClN2 — CID 114860497

IUPAC2-(2-aminoethyl)-4-chloro-N-methyl-N-(2-methylpropyl)aniline
SMILESCC(C)CN(C)c1ccc(Cl)cc1CCN
InChIInChI=1S/C13H21ClN2/c1-10(2)9-16(3)13-5-4-12(14)8-11(13)6-7-15/h4-5,8,10H,6-7,9,15H2,1-3H3
InChIKeyGPUMWOCWBRFCEL-UHFFFAOYSA-N
MW240.78 g/mol
LogP2.93
Rot. Bonds5

About 2-(2-aminoethyl)-4-chloro-N-methyl-N-(2-methylpropyl)aniline

2-(2-aminoethyl)-4-chloro-N-methyl-N-(2-methylpropyl)aniline (PubChem CID 114860497) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-chloro-N-methyl-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-chloro-N-methyl-N-(2-methylpropyl)aniline
PubChem CID114860497
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name2-(2-aminoethyl)-4-chloro-N-methyl-N-(2-methylpropyl)aniline
SMILESCC(C)CN(C)c1ccc(Cl)cc1CCN
InChIInChI=1S/C13H21ClN2/c1-10(2)9-16(3)13-5-4-12(14)8-11(13)6-7-15/h4-5,8,10H,6-7,9,15H2,1-3H3
InChIKeyGPUMWOCWBRFCEL-UHFFFAOYSA-N
XLogP2.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminoethyl)-4-chloro-N-methyl-N-propan-2-ylaniline
CID 114860357
2-(2-aminoethyl)-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 114861541
5-chloro-2-(chloromethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 114846372
2-(2-aminoethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 63783578
2-(2-aminoethyl)-4-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114860694
2-(bromomethyl)-4-chloro-N-(2,2-difluoroethyl)-N-methylaniline
CID 107085166
2-(bromomethyl)-4-chloro-N-methyl-N-(3-methylbutyl)aniline
CID 107081165
2-(2-aminoethyl)-4-chloro-N-(furan-2-ylmethyl)-N-methylaniline
CID 114860599
[5-chloro-2-[methyl(3-methylbutyl)amino]phenyl]methanol
CID 114845343
4-chloro-2-[methyl(2-methylpropyl)amino]benzaldehyde
CID 114843930
4-chloro-2-[methyl(2-methylpropyl)amino]benzonitrile
CID 63094076
2-[4-chloro-2-(3-methylbutylsulfanyl)phenyl]ethanamine
CID 107762530

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-chloro-N-methyl-N-(2-methylpropyl)aniline?
The IUPAC name of 2-(2-aminoethyl)-4-chloro-N-methyl-N-(2-methylpropyl)aniline (CID 114860497) is 2-(2-aminoethyl)-4-chloro-N-methyl-N-(2-methylpropyl)aniline.
What is the SMILES notation for 2-(2-aminoethyl)-4-chloro-N-methyl-N-(2-methylpropyl)aniline?
The canonical SMILES for 2-(2-aminoethyl)-4-chloro-N-methyl-N-(2-methylpropyl)aniline is CC(C)CN(C)c1ccc(Cl)cc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-4-chloro-N-methyl-N-(2-methylpropyl)aniline?
The InChIKey is GPUMWOCWBRFCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-10(2)9-16(3)13-5-4-12(14)8-11(13)6-7-15/h4-5,8,10H,6-7,9,15H2,1-3H3.
What are the key properties of 2-(2-aminoethyl)-4-chloro-N-methyl-N-(2-methylpropyl)aniline?
2-(2-aminoethyl)-4-chloro-N-methyl-N-(2-methylpropyl)aniline has a molecular weight of 240.78 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-chloro-N-methyl-N-(2-methylpropyl)aniline is sourced from PubChem (CID 114860497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).