(3-aminocyclohexyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride

C18H27ClN2O2 — CID 119687293

IUPAC(3-aminocyclohexyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCOc1ccc(C2CCCN2C(=O)C2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-22-16-9-7-13(8-10-16)17-6-3-11-20(17)18(21)14-4-2-5-15(19)12-14;/h7-10,14-15,17H,2-6,11-12,19H2,1H3;1H
InChIKeyYGHHWKBNHNXLBC-UHFFFAOYSA-N
MW338.88 g/mol
LogP3.30
Rot. Bonds3

About (3-aminocyclohexyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride

(3-aminocyclohexyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 119687293) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is (3-aminocyclohexyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclohexyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID119687293
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name(3-aminocyclohexyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCOc1ccc(C2CCCN2C(=O)C2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-22-16-9-7-13(8-10-16)17-6-3-11-20(17)18(21)14-4-2-5-15(19)12-14;/h7-10,14-15,17H,2-6,11-12,19H2,1H3;1H
InChIKeyYGHHWKBNHNXLBC-UHFFFAOYSA-N
XLogP3.30
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminocyclohexyl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 119695947
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
(3-aminocyclohexyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 119785074
[(1S,3R)-3-aminocyclohexyl]-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 124686929
(3-aminocyclopentyl)-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119698902
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
CID 42919745
2-(4-methoxyphenyl)piperidine-1-carboxamide
CID 69349219
(3-aminocyclopentyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone
CID 119785073
(3-aminocyclohexyl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119727217
(2R)-2-amino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119270091
2-amino-2-ethyl-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 79814213
2-amino-3-methoxy-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 81082575

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-aminocyclohexyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride (CID 119687293) is (3-aminocyclohexyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminocyclohexyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminocyclohexyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride is COc1ccc(C2CCCN2C(=O)C2CCCC(N)C2)cc1.Cl.
What is the InChIKey of (3-aminocyclohexyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is YGHHWKBNHNXLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c1-22-16-9-7-13(8-10-16)17-6-3-11-20(17)18(21)14-4-2-5-15(19)12-14;/h7-10,14-15,17H,2-6,11-12,19H2,1H3;1H.
What are the key properties of (3-aminocyclohexyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride?
(3-aminocyclohexyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119687293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).