[4-(aminomethyl)phenyl]-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride

C14H21ClN2O — CID 119328198

IUPAC[4-(aminomethyl)phenyl]-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2ccc(CN)cc2)CC1C.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-10-8-16(9-11(10)2)14(17)13-5-3-12(7-15)4-6-13;/h3-6,10-11H,7-9,15H2,1-2H3;1H
InChIKeyMJNRJEFOIQAKSR-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.30
Rot. Bonds2

About [4-(aminomethyl)phenyl]-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride

[4-(aminomethyl)phenyl]-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 119328198) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID119328198
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name[4-(aminomethyl)phenyl]-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2ccc(CN)cc2)CC1C.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-10-8-16(9-11(10)2)14(17)13-5-3-12(7-15)4-6-13;/h3-6,10-11H,7-9,15H2,1-2H3;1H
InChIKeyMJNRJEFOIQAKSR-UHFFFAOYSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)phenyl]-(2-ethyl-6-methylmorpholin-4-yl)methanone;hydrochloride
CID 119304821
[4-(aminomethyl)phenyl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 119316814
2-[1-[4-(aminomethyl)benzoyl]azetidin-3-yl]acetic acid
CID 64605014
4-(3,4-dimethylpyrrolidine-1-carbonyl)benzenecarbothioamide
CID 79038709
[4-(aminomethyl)phenyl]-(2,5-dimethylpyrrolidin-1-yl)methanone
CID 119345177
[4-(aminomethyl)phenyl]-(4-methoxypiperidin-1-yl)methanone;hydrochloride
CID 119275334
[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 171357957
[4-(aminomethyl)phenyl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 129366969
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
[4-(aminomethyl)phenyl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 119328231
[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 119281929
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)phenyl]-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride (CID 119328198) is [4-(aminomethyl)phenyl]-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)phenyl]-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride is CC1CN(C(=O)c2ccc(CN)cc2)CC1C.Cl.
What is the InChIKey of [4-(aminomethyl)phenyl]-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is MJNRJEFOIQAKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-10-8-16(9-11(10)2)14(17)13-5-3-12(7-15)4-6-13;/h3-6,10-11H,7-9,15H2,1-2H3;1H.
What are the key properties of [4-(aminomethyl)phenyl]-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride?
[4-(aminomethyl)phenyl]-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119328198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).