[2-(aminomethyl)azetidin-1-yl]-[2-methyl-6-(4-methylphenyl)phenyl]methanone

C19H22N2O — CID 68992891

IUPAC[2-(aminomethyl)azetidin-1-yl]-[2-methyl-6-(4-methylphenyl)phenyl]methanone
SMILESCc1ccc(-c2cccc(C)c2C(=O)N2CCC2CN)cc1
InChIInChI=1S/C19H22N2O/c1-13-6-8-15(9-7-13)17-5-3-4-14(2)18(17)19(22)21-11-10-16(21)12-20/h3-9,16H,10-12,20H2,1-2H3
InChIKeyZYJYVDQICXWLKI-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.14
Rot. Bonds3

About [2-(aminomethyl)azetidin-1-yl]-[2-methyl-6-(4-methylphenyl)phenyl]methanone

[2-(aminomethyl)azetidin-1-yl]-[2-methyl-6-(4-methylphenyl)phenyl]methanone (PubChem CID 68992891) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is [2-(aminomethyl)azetidin-1-yl]-[2-methyl-6-(4-methylphenyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)azetidin-1-yl]-[2-methyl-6-(4-methylphenyl)phenyl]methanone
PubChem CID68992891
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name[2-(aminomethyl)azetidin-1-yl]-[2-methyl-6-(4-methylphenyl)phenyl]methanone
SMILESCc1ccc(-c2cccc(C)c2C(=O)N2CCC2CN)cc1
InChIInChI=1S/C19H22N2O/c1-13-6-8-15(9-7-13)17-5-3-4-14(2)18(17)19(22)21-11-10-16(21)12-20/h3-9,16H,10-12,20H2,1-2H3
InChIKeyZYJYVDQICXWLKI-UHFFFAOYSA-N
XLogP3.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(aminomethyl)azetidin-1-yl]-[2-methyl-6-(4-methylphenyl)phenyl]methanone with MolForge

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Related Compounds

2,6-bis(4-methylphenyl)benzamide
CID 11301076
[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148
[2-(aminomethyl)azepan-1-yl]-(2,3-dimethylphenyl)methanone
CID 116640061
[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
CID 134408479
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 103441015
[(2S)-2-(aminomethyl)piperidin-1-yl]-[4-(2-chlorophenyl)phenyl]methanone
CID 126432406
[2-(aminomethyl)azepan-1-yl]-(2,4-dimethylphenyl)methanone
CID 116639963
[2-(aminomethyl)azepan-1-yl]-(2,6-difluoro-3-methylphenyl)methanone
CID 116640075
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 115963404
[(2S)-2-(aminomethyl)piperidin-1-yl]-[2-(2-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 124573522
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-chloro-3-methylphenyl)methanone
CID 103352294
(2-amino-6-methylphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83053615

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)azetidin-1-yl]-[2-methyl-6-(4-methylphenyl)phenyl]methanone?
The IUPAC name of [2-(aminomethyl)azetidin-1-yl]-[2-methyl-6-(4-methylphenyl)phenyl]methanone (CID 68992891) is [2-(aminomethyl)azetidin-1-yl]-[2-methyl-6-(4-methylphenyl)phenyl]methanone.
What is the SMILES notation for [2-(aminomethyl)azetidin-1-yl]-[2-methyl-6-(4-methylphenyl)phenyl]methanone?
The canonical SMILES for [2-(aminomethyl)azetidin-1-yl]-[2-methyl-6-(4-methylphenyl)phenyl]methanone is Cc1ccc(-c2cccc(C)c2C(=O)N2CCC2CN)cc1.
What is the InChIKey of [2-(aminomethyl)azetidin-1-yl]-[2-methyl-6-(4-methylphenyl)phenyl]methanone?
The InChIKey is ZYJYVDQICXWLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-13-6-8-15(9-7-13)17-5-3-4-14(2)18(17)19(22)21-11-10-16(21)12-20/h3-9,16H,10-12,20H2,1-2H3.
What are the key properties of [2-(aminomethyl)azetidin-1-yl]-[2-methyl-6-(4-methylphenyl)phenyl]methanone?
[2-(aminomethyl)azetidin-1-yl]-[2-methyl-6-(4-methylphenyl)phenyl]methanone has a molecular weight of 294.40 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)azetidin-1-yl]-[2-methyl-6-(4-methylphenyl)phenyl]methanone is sourced from PubChem (CID 68992891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).