4-(2-aminoethyl)-2-chloro-N-ethyl-N-propylaniline

C13H21ClN2 — CID 81166516

IUPAC4-(2-aminoethyl)-2-chloro-N-ethyl-N-propylaniline
SMILESCCCN(CC)c1ccc(CCN)cc1Cl
InChIInChI=1S/C13H21ClN2/c1-3-9-16(4-2)13-6-5-11(7-8-15)10-12(13)14/h5-6,10H,3-4,7-9,15H2,1-2H3
InChIKeyQSGJUTWNFDXFCV-UHFFFAOYSA-N
MW240.78 g/mol
LogP3.08
Rot. Bonds6

About 4-(2-aminoethyl)-2-chloro-N-ethyl-N-propylaniline

4-(2-aminoethyl)-2-chloro-N-ethyl-N-propylaniline (PubChem CID 81166516) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-chloro-N-ethyl-N-propylaniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-chloro-N-ethyl-N-propylaniline
PubChem CID81166516
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name4-(2-aminoethyl)-2-chloro-N-ethyl-N-propylaniline
SMILESCCCN(CC)c1ccc(CCN)cc1Cl
InChIInChI=1S/C13H21ClN2/c1-3-9-16(4-2)13-6-5-11(7-8-15)10-12(13)14/h5-6,10H,3-4,7-9,15H2,1-2H3
InChIKeyQSGJUTWNFDXFCV-UHFFFAOYSA-N
XLogP3.08
TPSA29.26 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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline
CID 81166238
2-chloro-N-ethyl-N-propyl-4-(propylaminomethyl)aniline
CID 81148770
4-(2-aminoethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline
CID 81165802
4-(2-aminoethyl)-N-butyl-N-ethyl-2-methylaniline
CID 63782866
4-(2-aminoethyl)-2-chloro-N-ethyl-N-phenylaniline
CID 81166285
4-(2-aminoethyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline
CID 81166471
4-(2-aminoethyl)-2-chloro-N-ethyl-N-(2-methylphenyl)aniline
CID 81165834
4-(bromomethyl)-2-chloro-N,N-diethylaniline
CID 107078904
2-(2-aminoethyl)-N-ethyl-4-fluoro-N-propylaniline
CID 63783053
4-(aminomethyl)-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 63087010
2-chloro-4-methyl-N,N-dipropylaniline
CID 142078199
2-(2-aminoethyl)-N-ethyl-N-propylaniline
CID 63782884

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-chloro-N-ethyl-N-propylaniline?
The IUPAC name of 4-(2-aminoethyl)-2-chloro-N-ethyl-N-propylaniline (CID 81166516) is 4-(2-aminoethyl)-2-chloro-N-ethyl-N-propylaniline.
What is the SMILES notation for 4-(2-aminoethyl)-2-chloro-N-ethyl-N-propylaniline?
The canonical SMILES for 4-(2-aminoethyl)-2-chloro-N-ethyl-N-propylaniline is CCCN(CC)c1ccc(CCN)cc1Cl.
What is the InChIKey of 4-(2-aminoethyl)-2-chloro-N-ethyl-N-propylaniline?
The InChIKey is QSGJUTWNFDXFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-3-9-16(4-2)13-6-5-11(7-8-15)10-12(13)14/h5-6,10H,3-4,7-9,15H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-2-chloro-N-ethyl-N-propylaniline?
4-(2-aminoethyl)-2-chloro-N-ethyl-N-propylaniline has a molecular weight of 240.78 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-chloro-N-ethyl-N-propylaniline is sourced from PubChem (CID 81166516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).