(4-butan-2-ylphenyl)-[4-(methylamino)phenyl]methanone

C18H21NO — CID 116917421

IUPAC(4-butan-2-ylphenyl)-[4-(methylamino)phenyl]methanone
SMILESCCC(C)c1ccc(C(=O)c2ccc(NC)cc2)cc1
InChIInChI=1S/C18H21NO/c1-4-13(2)14-5-7-15(8-6-14)18(20)16-9-11-17(19-3)12-10-16/h5-13,19H,4H2,1-3H3
InChIKeyUYOQNUPKRWHVRV-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.47
Rot. Bonds5

About (4-butan-2-ylphenyl)-[4-(methylamino)phenyl]methanone

(4-butan-2-ylphenyl)-[4-(methylamino)phenyl]methanone (PubChem CID 116917421) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (4-butan-2-ylphenyl)-[4-(methylamino)phenyl]methanone.

Molecular Properties

Compound Name(4-butan-2-ylphenyl)-[4-(methylamino)phenyl]methanone
PubChem CID116917421
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(4-butan-2-ylphenyl)-[4-(methylamino)phenyl]methanone
SMILESCCC(C)c1ccc(C(=O)c2ccc(NC)cc2)cc1
InChIInChI=1S/C18H21NO/c1-4-13(2)14-5-7-15(8-6-14)18(20)16-9-11-17(19-3)12-10-16/h5-13,19H,4H2,1-3H3
InChIKeyUYOQNUPKRWHVRV-UHFFFAOYSA-N
XLogP4.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butan-2-yl-N-methylaniline
CID 22675641
(4-butan-2-ylphenyl)-(furan-3-yl)methanone
CID 43462695
4-butan-2-ylbenzohydrazide
CID 83386529
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
(4-butan-2-ylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337814
benzoyl chloride;butan-2-ylbenzene;(4-butan-2-ylphenyl)-phenylmethanone;chloromethane
CID 159084487
4-(4-butan-2-ylbenzoyl)-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586554
4-bromo-N-(4-butan-2-ylphenyl)benzamide
CID 2842671
benzoyl chloride;butan-2-ylbenzene;(4-butan-2-ylphenyl)-phenylmethanone;hydrochloride
CID 157456534
(4-butan-2-ylphenyl)-(3-chloro-4-fluorophenyl)methanone
CID 82874721
(4-butan-2-ylphenyl)-(2-methylfuran-3-yl)methanone
CID 43462697
N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide
CID 23585233

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylphenyl)-[4-(methylamino)phenyl]methanone?
The IUPAC name of (4-butan-2-ylphenyl)-[4-(methylamino)phenyl]methanone (CID 116917421) is (4-butan-2-ylphenyl)-[4-(methylamino)phenyl]methanone.
What is the SMILES notation for (4-butan-2-ylphenyl)-[4-(methylamino)phenyl]methanone?
The canonical SMILES for (4-butan-2-ylphenyl)-[4-(methylamino)phenyl]methanone is CCC(C)c1ccc(C(=O)c2ccc(NC)cc2)cc1.
What is the InChIKey of (4-butan-2-ylphenyl)-[4-(methylamino)phenyl]methanone?
The InChIKey is UYOQNUPKRWHVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-4-13(2)14-5-7-15(8-6-14)18(20)16-9-11-17(19-3)12-10-16/h5-13,19H,4H2,1-3H3.
What are the key properties of (4-butan-2-ylphenyl)-[4-(methylamino)phenyl]methanone?
(4-butan-2-ylphenyl)-[4-(methylamino)phenyl]methanone has a molecular weight of 267.37 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylphenyl)-[4-(methylamino)phenyl]methanone is sourced from PubChem (CID 116917421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).