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

C19H27ClN2O — CID 120807217

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone
SMILESCC1(CN)CCN(C(=O)C2(Cc3cccc(Cl)c3)CCCC2)C1
InChIInChI=1S/C19H27ClN2O/c1-18(13-21)9-10-22(14-18)17(23)19(7-2-3-8-19)12-15-5-4-6-16(20)11-15/h4-6,11H,2-3,7-10,12-14,21H2,1H3
InChIKeyZOXAJSKDMDWIRO-UHFFFAOYSA-N
MW334.89 g/mol
LogP3.64
Rot. Bonds4

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

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone (PubChem CID 120807217) 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-[(3-chlorophenyl)methyl]cyclopentyl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone
PubChem CID120807217
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone
SMILESCC1(CN)CCN(C(=O)C2(Cc3cccc(Cl)c3)CCCC2)C1
InChIInChI=1S/C19H27ClN2O/c1-18(13-21)9-10-22(14-18)17(23)19(7-2-3-8-19)12-15-5-4-6-16(20)11-15/h4-6,11H,2-3,7-10,12-14,21H2,1H3
InChIKeyZOXAJSKDMDWIRO-UHFFFAOYSA-N
XLogP3.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 53.64
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-chlorophenyl)cyclopropyl]methanone
CID 120803979
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-[(3-chlorophenyl)methylsulfanyl]ethanone;hydrochloride
CID 120808622
[(3R)-3-aminopyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone
CID 119411301
[4-(3-aminopropoxy)piperidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone;hydrochloride
CID 119663102
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone
CID 120810169
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(3-chlorophenoxy)ethanone;hydrochloride
CID 120805062
[1-[(3-chlorophenyl)methyl]cyclopentyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119623522
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone
CID 120806411
ethyl 1-(5-acetylthiophene-2-carbonyl)-3-[(3-chlorophenyl)methyl]piperidine-3-carboxylate
CID 45217275
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-methoxyphenyl)cyclopentyl]methanone
CID 120807295
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride
CID 120803842

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone (CID 120807217) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone is CC1(CN)CCN(C(=O)C2(Cc3cccc(Cl)c3)CCCC2)C1.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone?
The InChIKey is ZOXAJSKDMDWIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O/c1-18(13-21)9-10-22(14-18)17(23)19(7-2-3-8-19)12-15-5-4-6-16(20)11-15/h4-6,11H,2-3,7-10,12-14,21H2,1H3.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone has a molecular weight of 334.89 g/mol, XLogP of 3.64, 4 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)methyl]cyclopentyl]methanone is sourced from PubChem (CID 120807217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).