4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline

C13H21ClN2 — CID 114848022

IUPAC4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline
SMILESCCCN(C)c1ccc(Cl)cc1CNCC
InChIInChI=1S/C13H21ClN2/c1-4-8-16(3)13-7-6-12(14)9-11(13)10-15-5-2/h6-7,9,15H,4-5,8,10H2,1-3H3
InChIKeyWVHPHZSCJUXYMT-UHFFFAOYSA-N
MW240.78 g/mol
LogP3.30
Rot. Bonds6

About 4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline

4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline (PubChem CID 114848022) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is 4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline.

Molecular Properties

Compound Name4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline
PubChem CID114848022
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline
SMILESCCCN(C)c1ccc(Cl)cc1CNCC
InChIInChI=1S/C13H21ClN2/c1-4-8-16(3)13-7-6-12(14)9-11(13)10-15-5-2/h6-7,9,15H,4-5,8,10H2,1-3H3
InChIKeyWVHPHZSCJUXYMT-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(ethylaminomethyl)-N,N-dipropylaniline
CID 114847374
2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]ethanol
CID 114848634
4-chloro-2-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 114847708
4-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 114848876
2-[4-chloro-2-(ethylaminomethyl)-N-methylanilino]-N-propan-2-ylacetamide
CID 114850041
N-butyl-4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114847405
2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,N-dimethylacetamide
CID 114848185
4-chloro-2-(ethylaminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114848960
N-butyl-4-chloro-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 114847398
4-chloro-N-(2,2-difluoroethyl)-N-methyl-2-(propylaminomethyl)aniline
CID 114853665
4-chloro-N-(2-ethoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114852817
4-chloro-N-ethyl-2-(ethylaminomethyl)-N-(3-methylphenyl)aniline
CID 114848692

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline?
The IUPAC name of 4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline (CID 114848022) is 4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline.
What is the SMILES notation for 4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline?
The canonical SMILES for 4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline is CCCN(C)c1ccc(Cl)cc1CNCC.
What is the InChIKey of 4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline?
The InChIKey is WVHPHZSCJUXYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-4-8-16(3)13-7-6-12(14)9-11(13)10-15-5-2/h6-7,9,15H,4-5,8,10H2,1-3H3.
What are the key properties of 4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline?
4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline has a molecular weight of 240.78 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline is sourced from PubChem (CID 114848022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).