3-(aminomethyl)-1-(2-chlorophenyl)-N,N-dimethylpyrrolidin-3-amine

C13H20ClN3 — CID 117012477

IUPAC3-(aminomethyl)-1-(2-chlorophenyl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1(CN)CCN(c2ccccc2Cl)C1
InChIInChI=1S/C13H20ClN3/c1-16(2)13(9-15)7-8-17(10-13)12-6-4-3-5-11(12)14/h3-6H,7-10,15H2,1-2H3
InChIKeyDEYKYWZQZORIES-UHFFFAOYSA-N
MW253.78 g/mol
LogP1.81
Rot. Bonds3

About 3-(aminomethyl)-1-(2-chlorophenyl)-N,N-dimethylpyrrolidin-3-amine

3-(aminomethyl)-1-(2-chlorophenyl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 117012477) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(2-chlorophenyl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-1-(2-chlorophenyl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID117012477
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name3-(aminomethyl)-1-(2-chlorophenyl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1(CN)CCN(c2ccccc2Cl)C1
InChIInChI=1S/C13H20ClN3/c1-16(2)13(9-15)7-8-17(10-13)12-6-4-3-5-11(12)14/h3-6H,7-10,15H2,1-2H3
InChIKeyDEYKYWZQZORIES-UHFFFAOYSA-N
XLogP1.81
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol
CID 117012684
3-(aminomethyl)-1-(2-chlorophenyl)pyrrolidin-3-ol
CID 115035884
[1-(3-chloro-2-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
CID 117012409
3-(aminomethyl)-N,N-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine
CID 117012473
3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 117012470
[1-(2-chlorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine
CID 117024878
3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopropyl-N-methylpyrrolidin-3-amine
CID 62980197
3-(aminomethyl)-N,N-dimethyl-1-(1-phenylethyl)pyrrolidin-3-amine
CID 117012449
3-amino-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 117011902
4-(aminomethyl)-N-methyl-1-phenyl-N-propan-2-ylpiperidin-4-amine
CID 106820460
3-(aminomethyl)-N-benzyl-N,1-dimethylpyrrolidin-3-amine
CID 62975093
[1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentyl]methanamine
CID 62262521

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(2-chlorophenyl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-1-(2-chlorophenyl)-N,N-dimethylpyrrolidin-3-amine (CID 117012477) is 3-(aminomethyl)-1-(2-chlorophenyl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-1-(2-chlorophenyl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-1-(2-chlorophenyl)-N,N-dimethylpyrrolidin-3-amine is CN(C)C1(CN)CCN(c2ccccc2Cl)C1.
What is the InChIKey of 3-(aminomethyl)-1-(2-chlorophenyl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is DEYKYWZQZORIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-16(2)13(9-15)7-8-17(10-13)12-6-4-3-5-11(12)14/h3-6H,7-10,15H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1-(2-chlorophenyl)-N,N-dimethylpyrrolidin-3-amine?
3-(aminomethyl)-1-(2-chlorophenyl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 253.78 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(2-chlorophenyl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 117012477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).