(3-aminocyclohexyl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone;hydrochloride

C17H24BrClN2O — CID 119727217

IUPAC(3-aminocyclohexyl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCl.NC1CCCC(C(=O)N2CCCC2c2cccc(Br)c2)C1
InChIInChI=1S/C17H23BrN2O.ClH/c18-14-6-1-4-12(10-14)16-8-3-9-20(16)17(21)13-5-2-7-15(19)11-13;/h1,4,6,10,13,15-16H,2-3,5,7-9,11,19H2;1H
InChIKeyJDEXVMGBGQNQAD-UHFFFAOYSA-N
MW387.75 g/mol
LogP4.05
Rot. Bonds2

About (3-aminocyclohexyl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone;hydrochloride

(3-aminocyclohexyl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 119727217) has the molecular formula C17H24BrClN2O and a molecular weight of 387.75 g/mol. Its IUPAC name is (3-aminocyclohexyl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclohexyl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID119727217
Molecular FormulaC17H24BrClN2O
Molecular Weight387.75 g/mol
Exact Mass386.08
IUPAC Name(3-aminocyclohexyl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCl.NC1CCCC(C(=O)N2CCCC2c2cccc(Br)c2)C1
InChIInChI=1S/C17H23BrN2O.ClH/c18-14-6-1-4-12(10-14)16-8-3-9-20(16)17(21)13-5-2-7-15(19)11-13;/h1,4,6,10,13,15-16H,2-3,5,7-9,11,19H2;1H
InChIKeyJDEXVMGBGQNQAD-UHFFFAOYSA-N
XLogP4.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.75
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminocyclopentyl)-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119698902
[2-(3-bromophenyl)pyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 81128440
[2-(3-bromophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 63007252
3-amino-1-[2-(3-bromophenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119291405
(3-aminocyclohexyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 119785074
(3-aminocyclohexyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119687293
3-amino-1-[2-(3-bromophenyl)pyrrolidin-1-yl]propan-1-one
CID 54872368
2-amino-1-[2-(3-bromophenyl)pyrrolidin-1-yl]-2-ethylbutan-1-one
CID 79813601
(3-aminocyclohexyl)-[2-(2,3-dimethylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 119806563
[2-(3-bromophenyl)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 104913404
[2-(3-bromophenyl)pyrrolidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 55889204
tert-butyl (2R)-2-(3-bromophenyl)pyrrolidine-1-carboxylate
CID 86332501

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-aminocyclohexyl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone;hydrochloride (CID 119727217) is (3-aminocyclohexyl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminocyclohexyl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminocyclohexyl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone;hydrochloride is Cl.NC1CCCC(C(=O)N2CCCC2c2cccc(Br)c2)C1.
What is the InChIKey of (3-aminocyclohexyl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is JDEXVMGBGQNQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O.ClH/c18-14-6-1-4-12(10-14)16-8-3-9-20(16)17(21)13-5-2-7-15(19)11-13;/h1,4,6,10,13,15-16H,2-3,5,7-9,11,19H2;1H.
What are the key properties of (3-aminocyclohexyl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone;hydrochloride?
(3-aminocyclohexyl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 387.75 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119727217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).