2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one

C19H29NO — CID 62704331

IUPAC2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one
SMILESCc1ccccc1CN(C)CC1CC(C(C)C)CCC1=O
InChIInChI=1S/C19H29NO/c1-14(2)16-9-10-19(21)18(11-16)13-20(4)12-17-8-6-5-7-15(17)3/h5-8,14,16,18H,9-13H2,1-4H3
InChIKeyATNDQGLRJGNULD-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.07
Rot. Bonds5

About 2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one

2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one (PubChem CID 62704331) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one
PubChem CID62704331
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one
SMILESCc1ccccc1CN(C)CC1CC(C(C)C)CCC1=O
InChIInChI=1S/C19H29NO/c1-14(2)16-9-10-19(21)18(11-16)13-20(4)12-17-8-6-5-7-15(17)3/h5-8,14,16,18H,9-13H2,1-4H3
InChIKeyATNDQGLRJGNULD-UHFFFAOYSA-N
XLogP4.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one
CID 62613387
4-ethyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one
CID 62613388
2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 62707741
2-(naphthalen-1-ylmethyl)-4-propan-2-ylcyclohexan-1-one
CID 63400278
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 63236354
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 105417071
4-propan-2-yl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62703961
2-[(N-ethyl-4-methylanilino)methyl]-4-propan-2-ylcyclohexan-1-one
CID 63483008
2-[[methyl(thiolan-3-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 62704880
2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 79489426
2-[[methyl(oxan-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 63712336
2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 62707930

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one?
The IUPAC name of 2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one (CID 62704331) is 2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for 2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one?
The canonical SMILES for 2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one is Cc1ccccc1CN(C)CC1CC(C(C)C)CCC1=O.
What is the InChIKey of 2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one?
The InChIKey is ATNDQGLRJGNULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14(2)16-9-10-19(21)18(11-16)13-20(4)12-17-8-6-5-7-15(17)3/h5-8,14,16,18H,9-13H2,1-4H3.
What are the key properties of 2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one?
2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one has a molecular weight of 287.45 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 62704331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).