2-(3-chlorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine

C15H24ClN3 — CID 62886589

IUPAC2-(3-chlorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
SMILESCN(C)CC1CCCN1C(CN)c1cccc(Cl)c1
InChIInChI=1S/C15H24ClN3/c1-18(2)11-14-7-4-8-19(14)15(10-17)12-5-3-6-13(16)9-12/h3,5-6,9,14-15H,4,7-8,10-11,17H2,1-2H3
InChIKeyGOQHKYUMVVVGJM-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.37
Rot. Bonds5

About 2-(3-chlorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine

2-(3-chlorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine (PubChem CID 62886589) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
PubChem CID62886589
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name2-(3-chlorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
SMILESCN(C)CC1CCCN1C(CN)c1cccc(Cl)c1
InChIInChI=1S/C15H24ClN3/c1-18(2)11-14-7-4-8-19(14)15(10-17)12-5-3-6-13(16)9-12/h3,5-6,9,14-15H,4,7-8,10-11,17H2,1-2H3
InChIKeyGOQHKYUMVVVGJM-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-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanamine
CID 62885714
2-(4-chloro-2-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
CID 114843143
2-(4-bromo-3-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
CID 81436524
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822274
2-(4,5-dibromofuran-2-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
CID 62887499
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(2-ethoxyphenyl)ethanamine
CID 62884895
(2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489474
2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266358
3-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62469480
[1-[1-(3-chlorophenyl)propyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351682
2-[1-[2-amino-1-(3-fluorophenyl)ethyl]piperidin-2-yl]ethanol
CID 55020773
1-(3-chlorophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine
CID 79310280

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine (CID 62886589) is 2-(3-chlorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine is CN(C)CC1CCCN1C(CN)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine?
The InChIKey is GOQHKYUMVVVGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-18(2)11-14-7-4-8-19(14)15(10-17)12-5-3-6-13(16)9-12/h3,5-6,9,14-15H,4,7-8,10-11,17H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine?
2-(3-chlorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine 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-(3-chlorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 62886589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).