2-(4-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine

C18H29N — CID 65423604

IUPAC2-(4-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
SMILESCc1ccc(CC(N)C2CCC(C(C)C)CC2)cc1
InChIInChI=1S/C18H29N/c1-13(2)16-8-10-17(11-9-16)18(19)12-15-6-4-14(3)5-7-15/h4-7,13,16-18H,8-12,19H2,1-3H3
InChIKeyWCWXGTAFEOYBNQ-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.33
Rot. Bonds4

About 2-(4-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine

2-(4-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine (PubChem CID 65423604) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
PubChem CID65423604
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2-(4-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
SMILESCc1ccc(CC(N)C2CCC(C(C)C)CC2)cc1
InChIInChI=1S/C18H29N/c1-13(2)16-8-10-17(11-9-16)18(19)12-15-6-4-14(3)5-7-15/h4-7,13,16-18H,8-12,19H2,1-3H3
InChIKeyWCWXGTAFEOYBNQ-UHFFFAOYSA-N
XLogP4.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-2-(4-methylphenyl)ethanamine
CID 60818816
1-cyclopropyl-2-(3-methylphenyl)ethanamine
CID 54594185
2-(4-methylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65404581
(4-methylphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65424560
(1R)-1-cyclopropyl-2-(4-methylphenyl)ethanol
CID 39236667
2-(3-bromo-4-methylphenyl)-1-cyclopropylethanamine
CID 69076107
2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine
CID 63415430
propan-2-ylcyclobutane;1,4-xylene
CID 161065038
1-(3-bromo-2-cyclopropylpropyl)-4-methylbenzene
CID 104819629
1-[4-[2-(4-methylphenyl)ethyl]cyclohexyl]propan-1-amine
CID 145339871
2-(4-tert-butylphenyl)-1-cyclohexylethanamine
CID 63411930
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(4-methylphenyl)ethanamine
CID 79908712

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine?
The IUPAC name of 2-(4-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine (CID 65423604) is 2-(4-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(4-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine?
The canonical SMILES for 2-(4-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine is Cc1ccc(CC(N)C2CCC(C(C)C)CC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine?
The InChIKey is WCWXGTAFEOYBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-13(2)16-8-10-17(11-9-16)18(19)12-15-6-4-14(3)5-7-15/h4-7,13,16-18H,8-12,19H2,1-3H3.
What are the key properties of 2-(4-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine?
2-(4-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine has a molecular weight of 259.44 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine is sourced from PubChem (CID 65423604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).