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

C18H29N — CID 81011736

IUPAC[2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCc1ccc(C)c(C2CC(C(C)C)CCC2CN)c1
InChIInChI=1S/C18H29N/c1-12(2)15-7-8-16(11-19)18(10-15)17-9-13(3)5-6-14(17)4/h5-6,9,12,15-16,18H,7-8,10-11,19H2,1-4H3
InChIKeyXFFIRFWDVHCXRD-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.42
Rot. Bonds3

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

[2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 81011736) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is [2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]methanamine
PubChem CID81011736
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name[2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCc1ccc(C)c(C2CC(C(C)C)CCC2CN)c1
InChIInChI=1S/C18H29N/c1-12(2)15-7-8-16(11-19)18(10-15)17-9-13(3)5-6-14(17)4/h5-6,9,12,15-16,18H,7-8,10-11,19H2,1-4H3
InChIKeyXFFIRFWDVHCXRD-UHFFFAOYSA-N
XLogP4.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]methanamine (CID 81011736) is [2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]methanamine is Cc1ccc(C)c(C2CC(C(C)C)CCC2CN)c1.
What is the InChIKey of [2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is XFFIRFWDVHCXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-12(2)15-7-8-16(11-19)18(10-15)17-9-13(3)5-6-14(17)4/h5-6,9,12,15-16,18H,7-8,10-11,19H2,1-4H3.
What are the key properties of [2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]methanamine?
[2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 259.44 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 81011736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).