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

C19H27ClN2O — CID 120810169

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone
SMILESCC1(CN)CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)C1
InChIInChI=1S/C19H27ClN2O/c1-18(13-21)11-12-22(14-18)17(23)19(9-3-2-4-10-19)15-5-7-16(20)8-6-15/h5-8H,2-4,9-14,21H2,1H3
InChIKeyFKFUHDNXRSFMER-UHFFFAOYSA-N
MW334.89 g/mol
LogP3.74
Rot. Bonds3

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

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone (PubChem CID 120810169) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone
PubChem CID120810169
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone
SMILESCC1(CN)CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)C1
InChIInChI=1S/C19H27ClN2O/c1-18(13-21)11-12-22(14-18)17(23)19(9-3-2-4-10-19)15-5-7-16(20)8-6-15/h5-8H,2-4,9-14,21H2,1H3
InChIKeyFKFUHDNXRSFMER-UHFFFAOYSA-N
XLogP3.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-bromophenyl)cyclopentyl]methanone
CID 120807621
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclohexyl]methanone
CID 120804905
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopropyl]methanone
CID 120803979
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-methoxyphenyl)cyclopentyl]methanone
CID 120807295
[1-(4-chlorophenyl)cyclopropyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874970
1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146609
(3-tert-butyl-3-hydroxypyrrolidin-1-yl)-[1-(4-chlorophenyl)cyclopropyl]methanone
CID 66661540
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-chlorophenyl)-2-methylpropan-1-one;hydrochloride
CID 120805682
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone
CID 120807217
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-methoxy-4-methylphenyl)cyclopropyl]methanone;hydrochloride
CID 120805528
[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone
CID 134016732
[1-(4-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55642127

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone (CID 120810169) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone is CC1(CN)CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)C1.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone?
The InChIKey is FKFUHDNXRSFMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O/c1-18(13-21)11-12-22(14-18)17(23)19(9-3-2-4-10-19)15-5-7-16(20)8-6-15/h5-8H,2-4,9-14,21H2,1H3.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone has a molecular weight of 334.89 g/mol, XLogP of 3.74, 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-(4-chlorophenyl)cyclohexyl]methanone is sourced from PubChem (CID 120810169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).