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

C19H31N — CID 63528058

IUPAC1-(4-butylcyclohexyl)-2-(2-methylphenyl)ethanamine
SMILESCCCCC1CCC(C(N)Cc2ccccc2C)CC1
InChIInChI=1S/C19H31N/c1-3-4-8-16-10-12-17(13-11-16)19(20)14-18-9-6-5-7-15(18)2/h5-7,9,16-17,19H,3-4,8,10-14,20H2,1-2H3
InChIKeyQZSSMRIJKZZGJD-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.86
Rot. Bonds6

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

1-(4-butylcyclohexyl)-2-(2-methylphenyl)ethanamine (PubChem CID 63528058) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-2-(2-methylphenyl)ethanamine
PubChem CID63528058
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-(4-butylcyclohexyl)-2-(2-methylphenyl)ethanamine
SMILESCCCCC1CCC(C(N)Cc2ccccc2C)CC1
InChIInChI=1S/C19H31N/c1-3-4-8-16-10-12-17(13-11-16)19(20)14-18-9-6-5-7-15(18)2/h5-7,9,16-17,19H,3-4,8,10-14,20H2,1-2H3
InChIKeyQZSSMRIJKZZGJD-UHFFFAOYSA-N
XLogP4.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluorophenyl)-1-(4-propylcyclohexyl)ethanamine
CID 65425112
2-(2-methylphenyl)-1-(4-propylcyclohexyl)ethanol
CID 65424111
1-(4-butylcyclohexyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 115841569
N-ethyl-2-(2-methylphenyl)-1-(4-propylcyclohexyl)ethanamine
CID 65425325
1-(4-butylcyclohexyl)-2-pyridin-3-ylethanamine
CID 105034554
1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63527651
2-(1-benzothiophen-3-yl)-1-(4-propylcyclohexyl)ethanamine
CID 65423179
[2-(2-bromophenyl)-1-(4-butylcyclohexyl)ethyl]hydrazine
CID 105283853
(4-butylcyclohexyl)-cyclopropylmethanamine
CID 104994185
[[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]-fluoromethyl]benzene
CID 57319762
(4-butylcyclohexyl)-(2-fluorophenyl)methanamine
CID 115827979
2-(2-bromophenyl)-1-(4-butylcyclohexyl)-N-methylethanamine
CID 115787204

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-2-(2-methylphenyl)ethanamine?
The IUPAC name of 1-(4-butylcyclohexyl)-2-(2-methylphenyl)ethanamine (CID 63528058) is 1-(4-butylcyclohexyl)-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(4-butylcyclohexyl)-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 1-(4-butylcyclohexyl)-2-(2-methylphenyl)ethanamine is CCCCC1CCC(C(N)Cc2ccccc2C)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-2-(2-methylphenyl)ethanamine?
The InChIKey is QZSSMRIJKZZGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-3-4-8-16-10-12-17(13-11-16)19(20)14-18-9-6-5-7-15(18)2/h5-7,9,16-17,19H,3-4,8,10-14,20H2,1-2H3.
What are the key properties of 1-(4-butylcyclohexyl)-2-(2-methylphenyl)ethanamine?
1-(4-butylcyclohexyl)-2-(2-methylphenyl)ethanamine has a molecular weight of 273.46 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 63528058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).