[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone

C12H15ClN2O — CID 81482963

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
SMILESNCC1CCCN1C(=O)c1ccccc1Cl
InChIInChI=1S/C12H15ClN2O/c13-11-6-2-1-5-10(11)12(16)15-7-3-4-9(15)8-14/h1-2,5-6,9H,3-4,7-8,14H2
InChIKeyUTOMRSQKMDOJHO-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.90
Rot. Bonds2

About [2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone

[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone (PubChem CID 81482963) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
PubChem CID81482963
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
SMILESNCC1CCCN1C(=O)c1ccccc1Cl
InChIInChI=1S/C12H15ClN2O/c13-11-6-2-1-5-10(11)12(16)15-7-3-4-9(15)8-14/h1-2,5-6,9H,3-4,7-8,14H2
InChIKeyUTOMRSQKMDOJHO-UHFFFAOYSA-N
XLogP1.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chloro-4-iodophenyl)methanone
CID 119632203
[2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 81482675
[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
CID 134408479
[2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone;dihydrochloride
CID 119632894
[2-(2-chloroethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
CID 63394055
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 28706937
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(2-chlorophenyl)methanone
CID 23607111
[(2S)-2-(aminomethyl)piperidin-1-yl]-[4-(2-chlorophenyl)phenyl]methanone
CID 126432406
[2-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119631398
[2-(aminomethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone;hydrochloride
CID 119468475

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone (CID 81482963) is [2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone is NCC1CCCN1C(=O)c1ccccc1Cl.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone?
The InChIKey is UTOMRSQKMDOJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c13-11-6-2-1-5-10(11)12(16)15-7-3-4-9(15)8-14/h1-2,5-6,9H,3-4,7-8,14H2.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone?
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone has a molecular weight of 238.72 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone is sourced from PubChem (CID 81482963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).