[2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine

C19H31N — CID 81012364

IUPAC[2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine
SMILESCc1ccc(C)c(CC2CC(C(C)C)CCC2CN)c1
InChIInChI=1S/C19H31N/c1-13(2)16-7-8-17(12-20)19(10-16)11-18-9-14(3)5-6-15(18)4/h5-6,9,13,16-17,19H,7-8,10-12,20H2,1-4H3
InChIKeyDVEUPJHUZXWXJM-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.49
Rot. Bonds4

About [2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine

[2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 81012364) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is [2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine
PubChem CID81012364
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name[2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine
SMILESCc1ccc(C)c(CC2CC(C(C)C)CCC2CN)c1
InChIInChI=1S/C19H31N/c1-13(2)16-7-8-17(12-20)19(10-16)11-18-9-14(3)5-6-15(18)4/h5-6,9,13,16-17,19H,7-8,10-12,20H2,1-4H3
InChIKeyDVEUPJHUZXWXJM-UHFFFAOYSA-N
XLogP4.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine 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

1-[2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 81025893
2-[(2,5-dimethylphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401728
[2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]methanamine
CID 81011736
[2-[(4-bromophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine
CID 81011476
2-[(2-chloro-4-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 106864992
[4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine
CID 81011938
[4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexyl]methanamine
CID 81012688
3-cyclopropyl-1-(2,5-dimethylphenyl)butan-2-amine
CID 83154335
2-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55185587
[2-[(5-fluoro-2-methylphenyl)methyl]cyclohexyl]methanamine
CID 105376265
[2-(4-fluoro-3-methylphenyl)-4-propan-2-ylcyclohexyl]methanamine
CID 81011357
2-[(2-bromocyclopentyl)methyl]-1,4-dimethylbenzene
CID 63471595

Frequently Asked Questions

What is the IUPAC name of [2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine (CID 81012364) is [2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine is Cc1ccc(C)c(CC2CC(C(C)C)CCC2CN)c1.
What is the InChIKey of [2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is DVEUPJHUZXWXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-13(2)16-7-8-17(12-20)19(10-16)11-18-9-14(3)5-6-15(18)4/h5-6,9,13,16-17,19H,7-8,10-12,20H2,1-4H3.
What are the key properties of [2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine?
[2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 273.46 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 81012364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).