1-(4-tert-butylcyclohexyl)-2-(3-methylphenyl)ethanamine

C19H31N — CID 63527430

IUPAC1-(4-tert-butylcyclohexyl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CC(N)C2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C19H31N/c1-14-6-5-7-15(12-14)13-18(20)16-8-10-17(11-9-16)19(2,3)4/h5-7,12,16-18H,8-11,13,20H2,1-4H3
InChIKeyWWBDHOVEJMIKOY-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.72
Rot. Bonds3

About 1-(4-tert-butylcyclohexyl)-2-(3-methylphenyl)ethanamine

1-(4-tert-butylcyclohexyl)-2-(3-methylphenyl)ethanamine (PubChem CID 63527430) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-2-(3-methylphenyl)ethanamine
PubChem CID63527430
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-(4-tert-butylcyclohexyl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CC(N)C2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C19H31N/c1-14-6-5-7-15(12-14)13-18(20)16-8-10-17(11-9-16)19(2,3)4/h5-7,12,16-18H,8-11,13,20H2,1-4H3
InChIKeyWWBDHOVEJMIKOY-UHFFFAOYSA-N
XLogP4.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-2-(3-methylphenyl)ethanamine
CID 54594185
1-[2-bromo-2-(4-tert-butylcyclohexyl)ethyl]-3-methylbenzene
CID 63530422
2-(3-methylphenyl)-1-(oxan-4-yl)ethanamine
CID 62905159
1-(4-tert-butylcyclohexyl)-2-(4-methoxyphenyl)ethanamine
CID 63528924
1-(4-tert-butylcyclohexyl)-2-(furan-3-yl)ethanamine
CID 83175246
4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 60799490
1-(2-chloro-2-cyclopropylethyl)-3-methylbenzene
CID 63017026
1-cyclopropyl-2-(4-methylphenyl)ethanamine
CID 60818816
(4-tert-butylcyclohexyl)-(3-methylphenyl)methanol
CID 65400122
1-(4-tert-butylcyclohexyl)-2-pyridin-2-ylethanamine
CID 62718393
1-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 63528053
1-(3-bromo-2-cyclopropylpropyl)-3-methylbenzene
CID 104819634

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-2-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-2-(3-methylphenyl)ethanamine (CID 63527430) is 1-(4-tert-butylcyclohexyl)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-2-(3-methylphenyl)ethanamine is Cc1cccc(CC(N)C2CCC(C(C)(C)C)CC2)c1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-2-(3-methylphenyl)ethanamine?
The InChIKey is WWBDHOVEJMIKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-14-6-5-7-15(12-14)13-18(20)16-8-10-17(11-9-16)19(2,3)4/h5-7,12,16-18H,8-11,13,20H2,1-4H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-2-(3-methylphenyl)ethanamine?
1-(4-tert-butylcyclohexyl)-2-(3-methylphenyl)ethanamine has a molecular weight of 273.46 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 63527430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).