[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone

C13H17ClN2O — CID 113322421

IUPAC[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone
SMILESCC1CC(CN)CN1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O/c1-9-5-10(7-15)8-16(9)13(17)11-3-2-4-12(14)6-11/h2-4,6,9-10H,5,7-8,15H2,1H3
InChIKeyUEOMSVDTPYDFHA-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.15
Rot. Bonds2

About [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone

[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone (PubChem CID 113322421) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone
PubChem CID113322421
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone
SMILESCC1CC(CN)CN1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O/c1-9-5-10(7-15)8-16(9)13(17)11-3-2-4-12(14)6-11/h2-4,6,9-10H,5,7-8,15H2,1H3
InChIKeyUEOMSVDTPYDFHA-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-bromo-4-fluorophenyl)methanone
CID 103840444
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-bromo-4-chlorophenyl)methanone
CID 103840455
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone
CID 115491945
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5-chloro-2-nitrophenyl)methanone
CID 115491876
(3-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 64980085
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 115491771
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 115491792
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 113322480
(E)-1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(4-chlorophenyl)prop-2-en-1-one
CID 115491830
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone
CID 104615552
(3-chlorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331531
[5-(aminomethyl)-2-methylpiperidin-1-yl]-(3,4-dihydroxyphenyl)methanone
CID 107728737

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone?
The IUPAC name of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone (CID 113322421) is [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone?
The canonical SMILES for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone is CC1CC(CN)CN1C(=O)c1cccc(Cl)c1.
What is the InChIKey of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone?
The InChIKey is UEOMSVDTPYDFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-5-10(7-15)8-16(9)13(17)11-3-2-4-12(14)6-11/h2-4,6,9-10H,5,7-8,15H2,1H3.
What are the key properties of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone?
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone has a molecular weight of 252.74 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 113322421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).