[4-(aminomethyl)phenyl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride

C15H23ClN2O — CID 119328231

IUPAC[4-(aminomethyl)phenyl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCCC1CC(C)CN1C(=O)c1ccc(CN)cc1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-3-14-8-11(2)10-17(14)15(18)13-6-4-12(9-16)5-7-13;/h4-7,11,14H,3,8-10,16H2,1-2H3;1H
InChIKeyYVSFVFCQWZUIDC-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.83
Rot. Bonds3

About [4-(aminomethyl)phenyl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride

[4-(aminomethyl)phenyl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 119328231) has the molecular formula C15H23ClN2O and a molecular weight of 282.82 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID119328231
Molecular FormulaC15H23ClN2O
Molecular Weight282.82 g/mol
Exact Mass282.15
IUPAC Name[4-(aminomethyl)phenyl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCCC1CC(C)CN1C(=O)c1ccc(CN)cc1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-3-14-8-11(2)10-17(14)15(18)13-6-4-12(9-16)5-7-13;/h4-7,11,14H,3,8-10,16H2,1-2H3;1H
InChIKeyYVSFVFCQWZUIDC-UHFFFAOYSA-N
XLogP2.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 55029111
[4-(aminomethyl)phenyl]-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 119328198
[4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone
CID 43611605
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 119791905
[4-(aminomethyl)phenyl]-(2-ethyl-6-methylmorpholin-4-yl)methanone;hydrochloride
CID 119304821
[4-(aminomethyl)phenyl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119331241
2-[4-(aminomethyl)phenyl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone
CID 63589592
[4-(aminomethyl)phenyl]-[(2S,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone
CID 124693508
2-[4-(aminomethyl)phenyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 63589232
[4-(aminomethyl)phenyl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 119316814
[4-(aminomethyl)phenyl]-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 119293249
[4-(aminomethyl)phenyl]-(2,5-dimethylpyrrolidin-1-yl)methanone
CID 119345177

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)phenyl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride (CID 119328231) is [4-(aminomethyl)phenyl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)phenyl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride is CCC1CC(C)CN1C(=O)c1ccc(CN)cc1.Cl.
What is the InChIKey of [4-(aminomethyl)phenyl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is YVSFVFCQWZUIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-3-14-8-11(2)10-17(14)15(18)13-6-4-12(9-16)5-7-13;/h4-7,11,14H,3,8-10,16H2,1-2H3;1H.
What are the key properties of [4-(aminomethyl)phenyl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride?
[4-(aminomethyl)phenyl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 282.82 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119328231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).