[4-(aminomethyl)phenyl]-(2,3,5,6-tetramethylphenyl)methanone

C18H21NO — CID 44720409

IUPAC[4-(aminomethyl)phenyl]-(2,3,5,6-tetramethylphenyl)methanone
SMILESCc1cc(C)c(C)c(C(=O)c2ccc(CN)cc2)c1C
InChIInChI=1S/C18H21NO/c1-11-9-12(2)14(4)17(13(11)3)18(20)16-7-5-15(10-19)6-8-16/h5-9H,10,19H2,1-4H3
InChIKeyOFIDGGKQVIFMLC-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.61
Rot. Bonds3

About [4-(aminomethyl)phenyl]-(2,3,5,6-tetramethylphenyl)methanone

[4-(aminomethyl)phenyl]-(2,3,5,6-tetramethylphenyl)methanone (PubChem CID 44720409) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(2,3,5,6-tetramethylphenyl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(2,3,5,6-tetramethylphenyl)methanone
PubChem CID44720409
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name[4-(aminomethyl)phenyl]-(2,3,5,6-tetramethylphenyl)methanone
SMILESCc1cc(C)c(C)c(C(=O)c2ccc(CN)cc2)c1C
InChIInChI=1S/C18H21NO/c1-11-9-12(2)14(4)17(13(11)3)18(20)16-7-5-15(10-19)6-8-16/h5-9H,10,19H2,1-4H3
InChIKeyOFIDGGKQVIFMLC-UHFFFAOYSA-N
XLogP3.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)-2,6-dimethylphenyl]-(4-chlorophenyl)methanone
CID 86104305
4-(aminomethyl)-N-(2,4,5-trimethylphenyl)benzamide
CID 115161218
[4-(aminomethyl)phenyl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 114736158
[4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide
CID 68644964
1-[4-(aminomethyl)phenyl]-2-(3,5-dimethylphenyl)ethanone
CID 116548140
4-(aminomethyl)benzenecarbothioic S-acid
CID 86120927
[3-(aminomethyl)phenyl]-(4-propylphenyl)methanone
CID 116917494
4-(aminomethyl)-N-(2-methylpropoxy)benzamide
CID 82721691
(4-aminophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 2776675
1-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 118703223
4-(aminomethyl)-N-(2,5-dimethylphenyl)-N-methylbenzamide
CID 115161228
[4-[4-(aminomethyl)phenyl]sulfanylphenyl]-phenylmethanone
CID 150446587

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(2,3,5,6-tetramethylphenyl)methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-(2,3,5,6-tetramethylphenyl)methanone (CID 44720409) is [4-(aminomethyl)phenyl]-(2,3,5,6-tetramethylphenyl)methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(2,3,5,6-tetramethylphenyl)methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-(2,3,5,6-tetramethylphenyl)methanone is Cc1cc(C)c(C)c(C(=O)c2ccc(CN)cc2)c1C.
What is the InChIKey of [4-(aminomethyl)phenyl]-(2,3,5,6-tetramethylphenyl)methanone?
The InChIKey is OFIDGGKQVIFMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-11-9-12(2)14(4)17(13(11)3)18(20)16-7-5-15(10-19)6-8-16/h5-9H,10,19H2,1-4H3.
What are the key properties of [4-(aminomethyl)phenyl]-(2,3,5,6-tetramethylphenyl)methanone?
[4-(aminomethyl)phenyl]-(2,3,5,6-tetramethylphenyl)methanone has a molecular weight of 267.37 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(2,3,5,6-tetramethylphenyl)methanone is sourced from PubChem (CID 44720409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).