4-chloro-2-(ethylaminomethyl)-N,N-dipropylaniline

C15H25ClN2 — CID 114847374

IUPAC4-chloro-2-(ethylaminomethyl)-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(Cl)cc1CNCC
InChIInChI=1S/C15H25ClN2/c1-4-9-18(10-5-2)15-8-7-14(16)11-13(15)12-17-6-3/h7-8,11,17H,4-6,9-10,12H2,1-3H3
InChIKeyYRWUYKSTUNCIEU-UHFFFAOYSA-N
MW268.83 g/mol
LogP4.08
Rot. Bonds8

About 4-chloro-2-(ethylaminomethyl)-N,N-dipropylaniline

4-chloro-2-(ethylaminomethyl)-N,N-dipropylaniline (PubChem CID 114847374) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 4-chloro-2-(ethylaminomethyl)-N,N-dipropylaniline.

Molecular Properties

Compound Name4-chloro-2-(ethylaminomethyl)-N,N-dipropylaniline
PubChem CID114847374
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name4-chloro-2-(ethylaminomethyl)-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(Cl)cc1CNCC
InChIInChI=1S/C15H25ClN2/c1-4-9-18(10-5-2)15-8-7-14(16)11-13(15)12-17-6-3/h7-8,11,17H,4-6,9-10,12H2,1-3H3
InChIKeyYRWUYKSTUNCIEU-UHFFFAOYSA-N
XLogP4.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline
CID 114848022
4-chloro-N-ethyl-2-(methylaminomethyl)-N-propylaniline
CID 114847967
N'-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 114850409
N'-[4-chloro-2-(chloromethyl)phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 114846580
N'-[2-(bromomethyl)-4-chlorophenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 107082448
N'-[4-chloro-2-(propylaminomethyl)phenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995199
5-chloro-2-(methylaminomethyl)-N,N-dipropylaniline
CID 114847371
N,N-dibutyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 43313896
2-(2-aminobutyl)-4-chloro-N,N-dipropylaniline
CID 114860263
4-chloro-N-ethyl-2-(ethylaminomethyl)-N-(3-methylphenyl)aniline
CID 114848692
2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]ethanol
CID 114848634
5-(ethylaminomethyl)-2-fluoro-N,N-dipropylaniline
CID 84753347

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(ethylaminomethyl)-N,N-dipropylaniline?
The IUPAC name of 4-chloro-2-(ethylaminomethyl)-N,N-dipropylaniline (CID 114847374) is 4-chloro-2-(ethylaminomethyl)-N,N-dipropylaniline.
What is the SMILES notation for 4-chloro-2-(ethylaminomethyl)-N,N-dipropylaniline?
The canonical SMILES for 4-chloro-2-(ethylaminomethyl)-N,N-dipropylaniline is CCCN(CCC)c1ccc(Cl)cc1CNCC.
What is the InChIKey of 4-chloro-2-(ethylaminomethyl)-N,N-dipropylaniline?
The InChIKey is YRWUYKSTUNCIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-4-9-18(10-5-2)15-8-7-14(16)11-13(15)12-17-6-3/h7-8,11,17H,4-6,9-10,12H2,1-3H3.
What are the key properties of 4-chloro-2-(ethylaminomethyl)-N,N-dipropylaniline?
4-chloro-2-(ethylaminomethyl)-N,N-dipropylaniline has a molecular weight of 268.83 g/mol, XLogP of 4.08, 8 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,N-dipropylaniline is sourced from PubChem (CID 114847374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).