2-tert-butyl-1-[(4-ethylphenyl)methyl]cyclohexan-1-amine

C19H31N — CID 63408085

IUPAC2-tert-butyl-1-[(4-ethylphenyl)methyl]cyclohexan-1-amine
SMILESCCc1ccc(CC2(N)CCCCC2C(C)(C)C)cc1
InChIInChI=1S/C19H31N/c1-5-15-9-11-16(12-10-15)14-19(20)13-7-6-8-17(19)18(2,3)4/h9-12,17H,5-8,13-14,20H2,1-4H3
InChIKeyQWOPCRRYCITZAT-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.73
Rot. Bonds3

About 2-tert-butyl-1-[(4-ethylphenyl)methyl]cyclohexan-1-amine

2-tert-butyl-1-[(4-ethylphenyl)methyl]cyclohexan-1-amine (PubChem CID 63408085) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 2-tert-butyl-1-[(4-ethylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-1-[(4-ethylphenyl)methyl]cyclohexan-1-amine
PubChem CID63408085
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name2-tert-butyl-1-[(4-ethylphenyl)methyl]cyclohexan-1-amine
SMILESCCc1ccc(CC2(N)CCCCC2C(C)(C)C)cc1
InChIInChI=1S/C19H31N/c1-5-15-9-11-16(12-10-15)14-19(20)13-7-6-8-17(19)18(2,3)4/h9-12,17H,5-8,13-14,20H2,1-4H3
InChIKeyQWOPCRRYCITZAT-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[(4-ethylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-1-[(4-ethylphenyl)methyl]cyclohexan-1-amine (CID 63408085) is 2-tert-butyl-1-[(4-ethylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-1-[(4-ethylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-1-[(4-ethylphenyl)methyl]cyclohexan-1-amine is CCc1ccc(CC2(N)CCCCC2C(C)(C)C)cc1.
What is the InChIKey of 2-tert-butyl-1-[(4-ethylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is QWOPCRRYCITZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-5-15-9-11-16(12-10-15)14-19(20)13-7-6-8-17(19)18(2,3)4/h9-12,17H,5-8,13-14,20H2,1-4H3.
What are the key properties of 2-tert-butyl-1-[(4-ethylphenyl)methyl]cyclohexan-1-amine?
2-tert-butyl-1-[(4-ethylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[(4-ethylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63408085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).