2-[2-(4-tert-butylcyclohexyl)phenyl]ethanamine

C18H29N — CID 117403099

IUPAC2-[2-(4-tert-butylcyclohexyl)phenyl]ethanamine
SMILESCC(C)(C)C1CCC(c2ccccc2CCN)CC1
InChIInChI=1S/C18H29N/c1-18(2,3)16-10-8-15(9-11-16)17-7-5-4-6-14(17)12-13-19/h4-7,15-16H,8-13,19H2,1-3H3
InChIKeyYNSUTAVNGFXQQN-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.51
Rot. Bonds3

About 2-[2-(4-tert-butylcyclohexyl)phenyl]ethanamine

2-[2-(4-tert-butylcyclohexyl)phenyl]ethanamine (PubChem CID 117403099) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-[2-(4-tert-butylcyclohexyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-tert-butylcyclohexyl)phenyl]ethanamine
PubChem CID117403099
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2-[2-(4-tert-butylcyclohexyl)phenyl]ethanamine
SMILESCC(C)(C)C1CCC(c2ccccc2CCN)CC1
InChIInChI=1S/C18H29N/c1-18(2,3)16-10-8-15(9-11-16)17-7-5-4-6-14(17)12-13-19/h4-7,15-16H,8-13,19H2,1-3H3
InChIKeyYNSUTAVNGFXQQN-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylcyclohexyl)phenyl]ethanamine?
The IUPAC name of 2-[2-(4-tert-butylcyclohexyl)phenyl]ethanamine (CID 117403099) is 2-[2-(4-tert-butylcyclohexyl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(4-tert-butylcyclohexyl)phenyl]ethanamine?
The canonical SMILES for 2-[2-(4-tert-butylcyclohexyl)phenyl]ethanamine is CC(C)(C)C1CCC(c2ccccc2CCN)CC1.
What is the InChIKey of 2-[2-(4-tert-butylcyclohexyl)phenyl]ethanamine?
The InChIKey is YNSUTAVNGFXQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-18(2,3)16-10-8-15(9-11-16)17-7-5-4-6-14(17)12-13-19/h4-7,15-16H,8-13,19H2,1-3H3.
What are the key properties of 2-[2-(4-tert-butylcyclohexyl)phenyl]ethanamine?
2-[2-(4-tert-butylcyclohexyl)phenyl]ethanamine has a molecular weight of 259.44 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylcyclohexyl)phenyl]ethanamine is sourced from PubChem (CID 117403099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).