[4-[(dimethylamino)methyl]phenyl]-[4-(2-methylpropyl)phenyl]methanone

C20H25NO — CID 58820967

IUPAC[4-[(dimethylamino)methyl]phenyl]-[4-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1ccc(C(=O)c2ccc(CN(C)C)cc2)cc1
InChIInChI=1S/C20H25NO/c1-15(2)13-16-5-9-18(10-6-16)20(22)19-11-7-17(8-12-19)14-21(3)4/h5-12,15H,13-14H2,1-4H3
InChIKeyOWARFDHIZGEDEZ-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.18
Rot. Bonds6

About [4-[(dimethylamino)methyl]phenyl]-[4-(2-methylpropyl)phenyl]methanone

[4-[(dimethylamino)methyl]phenyl]-[4-(2-methylpropyl)phenyl]methanone (PubChem CID 58820967) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]phenyl]-[4-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]phenyl]-[4-(2-methylpropyl)phenyl]methanone
PubChem CID58820967
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name[4-[(dimethylamino)methyl]phenyl]-[4-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1ccc(C(=O)c2ccc(CN(C)C)cc2)cc1
InChIInChI=1S/C20H25NO/c1-15(2)13-16-5-9-18(10-6-16)20(22)19-11-7-17(8-12-19)14-21(3)4/h5-12,15H,13-14H2,1-4H3
InChIKeyOWARFDHIZGEDEZ-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43338104
(2S)-2-chloro-1-[4-(2-methylpropyl)phenyl]propan-1-one
CID 6931819
2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]-2-oxoacetic acid
CID 115141371
N-methyl-N-[[4-(2-methylpropyl)phenyl]methyl]-2-oxopropanamide
CID 115175745
2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]ethanol
CID 110921350
[4-[(dimethylamino)methyl]phenyl]-phenylmethanone;prop-2-enoic acid;hydrochloride
CID 175497028
(3,4-dimethoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 14297404
N-(bromomethyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 115262015
1-[4-(2-methylpropyl)phenyl]-3-sulfanylpropan-1-one
CID 94684203
2-hydroxy-N,2-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]propanamide
CID 115178830
(3-bromo-5-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43248253
N-[3-(dimethylamino)propyl]-4-(2-methylpropyl)benzamide
CID 110761239

Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]phenyl]-[4-(2-methylpropyl)phenyl]methanone?
The IUPAC name of [4-[(dimethylamino)methyl]phenyl]-[4-(2-methylpropyl)phenyl]methanone (CID 58820967) is [4-[(dimethylamino)methyl]phenyl]-[4-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for [4-[(dimethylamino)methyl]phenyl]-[4-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for [4-[(dimethylamino)methyl]phenyl]-[4-(2-methylpropyl)phenyl]methanone is CC(C)Cc1ccc(C(=O)c2ccc(CN(C)C)cc2)cc1.
What is the InChIKey of [4-[(dimethylamino)methyl]phenyl]-[4-(2-methylpropyl)phenyl]methanone?
The InChIKey is OWARFDHIZGEDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-15(2)13-16-5-9-18(10-6-16)20(22)19-11-7-17(8-12-19)14-21(3)4/h5-12,15H,13-14H2,1-4H3.
What are the key properties of [4-[(dimethylamino)methyl]phenyl]-[4-(2-methylpropyl)phenyl]methanone?
[4-[(dimethylamino)methyl]phenyl]-[4-(2-methylpropyl)phenyl]methanone has a molecular weight of 295.43 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]phenyl]-[4-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 58820967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).