2-(2-aminoethyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline

C15H24ClN3 — CID 114861920

IUPAC2-(2-aminoethyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
SMILESCN(CC1CCCN1C)c1ccc(Cl)cc1CCN
InChIInChI=1S/C15H24ClN3/c1-18-9-3-4-14(18)11-19(2)15-6-5-13(16)10-12(15)7-8-17/h5-6,10,14H,3-4,7-9,11,17H2,1-2H3
InChIKeyMLOKJODYPHOKCM-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.37
Rot. Bonds5

About 2-(2-aminoethyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline

2-(2-aminoethyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline (PubChem CID 114861920) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
PubChem CID114861920
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name2-(2-aminoethyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
SMILESCN(CC1CCCN1C)c1ccc(Cl)cc1CCN
InChIInChI=1S/C15H24ClN3/c1-18-9-3-4-14(18)11-19(2)15-6-5-13(16)10-12(15)7-8-17/h5-6,10,14H,3-4,7-9,11,17H2,1-2H3
InChIKeyMLOKJODYPHOKCM-UHFFFAOYSA-N
XLogP2.37
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethyl)-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
CID 114861930
2-(2-aminobutyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 114861923
4-(2-aminoethyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79318214
2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 107926272
2-(aminomethyl)-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
CID 79304544
N-[2-(2-aminoethyl)-4-chlorophenyl]-N,1-dimethylpiperidin-3-amine
CID 114860797
5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 79312980
2-(2-aminoethyl)-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 114861541
N-[2-(2-aminoethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 114861329
2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine
CID 102824295
2-(2-aminobutyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79318453
4-amino-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzoic acid
CID 79312601

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The IUPAC name of 2-(2-aminoethyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline (CID 114861920) is 2-(2-aminoethyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline.
What is the SMILES notation for 2-(2-aminoethyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The canonical SMILES for 2-(2-aminoethyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline is CN(CC1CCCN1C)c1ccc(Cl)cc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The InChIKey is MLOKJODYPHOKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-18-9-3-4-14(18)11-19(2)15-6-5-13(16)10-12(15)7-8-17/h5-6,10,14H,3-4,7-9,11,17H2,1-2H3.
What are the key properties of 2-(2-aminoethyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
2-(2-aminoethyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline has a molecular weight of 281.83 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline is sourced from PubChem (CID 114861920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).