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

C13H17ClN2O — CID 115266990

IUPAC[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone
SMILESCC1(CN)CCCN1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O/c1-13(9-15)6-3-7-16(13)12(17)10-4-2-5-11(14)8-10/h2,4-5,8H,3,6-7,9,15H2,1H3
InChIKeyKZYCGXDHWKAWBM-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.29
Rot. Bonds2

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

[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone (PubChem CID 115266990) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone
PubChem CID115266990
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone
SMILESCC1(CN)CCCN1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O/c1-13(9-15)6-3-7-16(13)12(17)10-4-2-5-11(14)8-10/h2,4-5,8H,3,6-7,9,15H2,1H3
InChIKeyKZYCGXDHWKAWBM-UHFFFAOYSA-N
XLogP2.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)-2-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 115267174
[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5-bromothiophen-2-yl)methanone
CID 115270508
3-(2,2-dimethylpyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 63217868
[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 115270537
1-(3-chlorobenzoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63134559
(3-amino-4,4-dimethylpiperidin-1-yl)-(3-chlorophenyl)methanone
CID 115269961
[4-(aminomethyl)phenyl]-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 119302772
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 119703799
2-[1-(aminomethyl)cyclohexyl]-1-(3-chlorophenyl)ethanone
CID 116614429
1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid
CID 63124878
ethyl 4-(3-chlorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798803
1-[4-(3-chlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 42774035

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone?
The IUPAC name of [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone (CID 115266990) is [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone?
The canonical SMILES for [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone is CC1(CN)CCCN1C(=O)c1cccc(Cl)c1.
What is the InChIKey of [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone?
The InChIKey is KZYCGXDHWKAWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-13(9-15)6-3-7-16(13)12(17)10-4-2-5-11(14)8-10/h2,4-5,8H,3,6-7,9,15H2,1H3.
What are the key properties of [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone?
[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone has a molecular weight of 252.75 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 115266990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).