4-(2-aminoethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylaniline

C14H21ClN2 — CID 114064874

IUPAC4-(2-aminoethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylaniline
SMILESCCN(CC1CC1)c1ccc(CCN)c(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-2-17(10-11-3-4-11)13-6-5-12(7-8-16)14(15)9-13/h5-6,9,11H,2-4,7-8,10,16H2,1H3
InChIKeyNZPKVMPJCFTWLE-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.08
Rot. Bonds6

About 4-(2-aminoethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylaniline

4-(2-aminoethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylaniline (PubChem CID 114064874) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 4-(2-aminoethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylaniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylaniline
PubChem CID114064874
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name4-(2-aminoethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylaniline
SMILESCCN(CC1CC1)c1ccc(CCN)c(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-2-17(10-11-3-4-11)13-6-5-12(7-8-16)14(15)9-13/h5-6,9,11H,2-4,7-8,10,16H2,1H3
InChIKeyNZPKVMPJCFTWLE-UHFFFAOYSA-N
XLogP3.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline
CID 62945842
2-chloro-4-[cyclopropylmethyl(ethyl)amino]benzenecarbothioamide
CID 63954578
2-chloro-4-[cyclopropylmethyl(ethyl)amino]benzenecarboximidamide
CID 63955794
4-(2-aminoethyl)-3-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 114064873
2-chloro-4-[cyclobutylmethyl(ethyl)amino]benzenecarbothioamide
CID 107398803
N-[4-(2-aminoethyl)-3-chlorophenyl]-N,2-dimethyloxolan-3-amine
CID 114064884
4-(2-aminoethyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline
CID 81166471
[4-[cyclobutylmethyl(ethyl)amino]-2-(trifluoromethyl)phenyl]methanol
CID 107399684
3-bromo-N-(cyclobutylmethyl)-N-ethyl-4-(methylaminomethyl)aniline
CID 114060875
bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride
CID 175176503
4-[cyclopropylmethyl(ethyl)amino]-2-methylbenzoic acid
CID 63954988
4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine
CID 107055569

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylaniline?
The IUPAC name of 4-(2-aminoethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylaniline (CID 114064874) is 4-(2-aminoethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylaniline.
What is the SMILES notation for 4-(2-aminoethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylaniline?
The canonical SMILES for 4-(2-aminoethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylaniline is CCN(CC1CC1)c1ccc(CCN)c(Cl)c1.
What is the InChIKey of 4-(2-aminoethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylaniline?
The InChIKey is NZPKVMPJCFTWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-2-17(10-11-3-4-11)13-6-5-12(7-8-16)14(15)9-13/h5-6,9,11H,2-4,7-8,10,16H2,1H3.
What are the key properties of 4-(2-aminoethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylaniline?
4-(2-aminoethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylaniline has a molecular weight of 252.79 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)-3-chloro-N-(cyclopropylmethyl)-N-ethylaniline is sourced from PubChem (CID 114064874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).