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

C16H21ClN2O — CID 120803979

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone
SMILESCC1(CN)CCN(C(=O)C2(c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C16H21ClN2O/c1-15(10-18)7-8-19(11-15)14(20)16(5-6-16)12-3-2-4-13(17)9-12/h2-4,9H,5-8,10-11,18H2,1H3
InChIKeyXWEQHOADAJPTKI-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.57
Rot. Bonds3

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

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone (PubChem CID 120803979) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone
PubChem CID120803979
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone
SMILESCC1(CN)CCN(C(=O)C2(c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C16H21ClN2O/c1-15(10-18)7-8-19(11-15)14(20)16(5-6-16)12-3-2-4-13(17)9-12/h2-4,9H,5-8,10-11,18H2,1H3
InChIKeyXWEQHOADAJPTKI-UHFFFAOYSA-N
XLogP2.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclohexyl]methanone
CID 120804905
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-methoxyphenyl)cyclopentyl]methanone
CID 120807295
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone
CID 120810169
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone
CID 120807217
[4-(3-chlorophenyl)oxan-4-yl]-[(3S)-3-methyl-3-propylpiperidin-1-yl]methanone
CID 95782823
1-[1-(3-chlorophenyl)cyclopentanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256737
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-methoxy-4-methylphenyl)cyclopropyl]methanone;hydrochloride
CID 120805528
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(3-chlorophenoxy)ethanone;hydrochloride
CID 120805062
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-bromophenyl)cyclopentyl]methanone
CID 120807621
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone;hydrochloride
CID 119483410
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-[(3-chlorophenyl)methylsulfanyl]ethanone;hydrochloride
CID 120808622
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone
CID 120806411

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone (CID 120803979) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone is CC1(CN)CCN(C(=O)C2(c3cccc(Cl)c3)CC2)C1.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone?
The InChIKey is XWEQHOADAJPTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-15(10-18)7-8-19(11-15)14(20)16(5-6-16)12-3-2-4-13(17)9-12/h2-4,9H,5-8,10-11,18H2,1H3.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone has a molecular weight of 292.81 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 120803979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).