2-(aminomethyl)-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline

C15H24ClN3 — CID 79304544

IUPAC2-(aminomethyl)-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
SMILESCCN1CCCC1CN(C)c1ccc(Cl)cc1CN
InChIInChI=1S/C15H24ClN3/c1-3-19-8-4-5-14(19)11-18(2)15-7-6-13(16)9-12(15)10-17/h6-7,9,14H,3-5,8,10-11,17H2,1-2H3
InChIKeyBEXVZPDYMCOYRC-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.72
Rot. Bonds5

About 2-(aminomethyl)-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline

2-(aminomethyl)-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline (PubChem CID 79304544) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-(aminomethyl)-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
PubChem CID79304544
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name2-(aminomethyl)-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
SMILESCCN1CCCC1CN(C)c1ccc(Cl)cc1CN
InChIInChI=1S/C15H24ClN3/c1-3-19-8-4-5-14(19)11-18(2)15-7-6-13(16)9-12(15)10-17/h6-7,9,14H,3-5,8,10-11,17H2,1-2H3
InChIKeyBEXVZPDYMCOYRC-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
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
5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 79309720
2-(2-aminoethyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 114861920
2-(aminomethyl)-3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
CID 79303489
4-(aminomethyl)-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 114926731
4-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoro-N-methylaniline
CID 79318756
2-(2-aminobutyl)-4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 114861923
4-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylaniline
CID 79319977
2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 107926272
[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]methanol
CID 79319283
N-[(5-chloro-2-fluorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 115761462
3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 79303751

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline?
The IUPAC name of 2-(aminomethyl)-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline (CID 79304544) is 2-(aminomethyl)-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline.
What is the SMILES notation for 2-(aminomethyl)-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline?
The canonical SMILES for 2-(aminomethyl)-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline is CCN1CCCC1CN(C)c1ccc(Cl)cc1CN.
What is the InChIKey of 2-(aminomethyl)-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline?
The InChIKey is BEXVZPDYMCOYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-3-19-8-4-5-14(19)11-18(2)15-7-6-13(16)9-12(15)10-17/h6-7,9,14H,3-5,8,10-11,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline?
2-(aminomethyl)-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline has a molecular weight of 281.83 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline is sourced from PubChem (CID 79304544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).