1-(4-ethylcyclohexyl)-2-methyl-2-phenylpropan-1-amine

C18H29N — CID 64775859

IUPAC1-(4-ethylcyclohexyl)-2-methyl-2-phenylpropan-1-amine
SMILESCCC1CCC(C(N)C(C)(C)c2ccccc2)CC1
InChIInChI=1S/C18H29N/c1-4-14-10-12-15(13-11-14)17(19)18(2,3)16-8-6-5-7-9-16/h5-9,14-15,17H,4,10-13,19H2,1-3H3
InChIKeyIMPXYDKHLODOGL-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.51
Rot. Bonds4

About 1-(4-ethylcyclohexyl)-2-methyl-2-phenylpropan-1-amine

1-(4-ethylcyclohexyl)-2-methyl-2-phenylpropan-1-amine (PubChem CID 64775859) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-2-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-2-methyl-2-phenylpropan-1-amine
PubChem CID64775859
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-(4-ethylcyclohexyl)-2-methyl-2-phenylpropan-1-amine
SMILESCCC1CCC(C(N)C(C)(C)c2ccccc2)CC1
InChIInChI=1S/C18H29N/c1-4-14-10-12-15(13-11-14)17(19)18(2,3)16-8-6-5-7-9-16/h5-9,14-15,17H,4,10-13,19H2,1-3H3
InChIKeyIMPXYDKHLODOGL-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-2-methyl-2-phenylpropan-1-amine?
The IUPAC name of 1-(4-ethylcyclohexyl)-2-methyl-2-phenylpropan-1-amine (CID 64775859) is 1-(4-ethylcyclohexyl)-2-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-2-methyl-2-phenylpropan-1-amine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-2-methyl-2-phenylpropan-1-amine is CCC1CCC(C(N)C(C)(C)c2ccccc2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-2-methyl-2-phenylpropan-1-amine?
The InChIKey is IMPXYDKHLODOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-14-10-12-15(13-11-14)17(19)18(2,3)16-8-6-5-7-9-16/h5-9,14-15,17H,4,10-13,19H2,1-3H3.
What are the key properties of 1-(4-ethylcyclohexyl)-2-methyl-2-phenylpropan-1-amine?
1-(4-ethylcyclohexyl)-2-methyl-2-phenylpropan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-2-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 64775859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).