2-(4-tert-butylphenyl)-1-cyclohexylethanamine

C18H29N — CID 63411930

IUPAC2-(4-tert-butylphenyl)-1-cyclohexylethanamine
SMILESCC(C)(C)c1ccc(CC(N)C2CCCCC2)cc1
InChIInChI=1S/C18H29N/c1-18(2,3)16-11-9-14(10-12-16)13-17(19)15-7-5-4-6-8-15/h9-12,15,17H,4-8,13,19H2,1-3H3
InChIKeyHBHDYWXLSQQIAG-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.43
Rot. Bonds3

About 2-(4-tert-butylphenyl)-1-cyclohexylethanamine

2-(4-tert-butylphenyl)-1-cyclohexylethanamine (PubChem CID 63411930) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-cyclohexylethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-cyclohexylethanamine
PubChem CID63411930
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2-(4-tert-butylphenyl)-1-cyclohexylethanamine
SMILESCC(C)(C)c1ccc(CC(N)C2CCCCC2)cc1
InChIInChI=1S/C18H29N/c1-18(2,3)16-11-9-14(10-12-16)13-17(19)15-7-5-4-6-8-15/h9-12,15,17H,4-8,13,19H2,1-3H3
InChIKeyHBHDYWXLSQQIAG-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-tert-butylphenyl)-1-(oxan-3-yl)ethanamine
CID 65331958
3-(4-tert-butylphenyl)-2-cyclopentylpropan-1-amine
CID 112569630
1-cyclopentyl-2-phenylethanamine
CID 50988646
1-(4-tert-butylphenyl)-3-cyclobutylpropan-2-amine
CID 103168467
2-(4-tert-butylphenyl)-1-cyclohexyl-N-ethylethanamine
CID 63413965
3-(4-tert-butylphenyl)-1-cyclopropylpropan-1-amine
CID 55202631
1-cyclopropyl-2-(4-methylphenyl)ethanamine
CID 60818816
2-(4-tert-butylphenyl)sulfinyl-1-cyclopentylethanamine
CID 104754574
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamine
CID 60865346
(1S)-1-cyclobutyl-2-phenylethanamine;phosphane
CID 143108875
2-(4-tert-butylphenyl)-1-cyclopropylethanol
CID 62608769
(2S,6R)-4-[2-(4-tert-butylphenyl)-1-cyclohexylethyl]-2,6-dimethylmorpholine
CID 173408171

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-cyclohexylethanamine?
The IUPAC name of 2-(4-tert-butylphenyl)-1-cyclohexylethanamine (CID 63411930) is 2-(4-tert-butylphenyl)-1-cyclohexylethanamine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-cyclohexylethanamine?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-cyclohexylethanamine is CC(C)(C)c1ccc(CC(N)C2CCCCC2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-cyclohexylethanamine?
The InChIKey is HBHDYWXLSQQIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-18(2,3)16-11-9-14(10-12-16)13-17(19)15-7-5-4-6-8-15/h9-12,15,17H,4-8,13,19H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-cyclohexylethanamine?
2-(4-tert-butylphenyl)-1-cyclohexylethanamine has a molecular weight of 259.44 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-cyclohexylethanamine is sourced from PubChem (CID 63411930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).