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

C19H31N — CID 114457473

IUPAC1-(4-tert-butylphenyl)-2-cycloheptylethanamine
SMILESCC(C)(C)c1ccc(C(N)CC2CCCCCC2)cc1
InChIInChI=1S/C19H31N/c1-19(2,3)17-12-10-16(11-13-17)18(20)14-15-8-6-4-5-7-9-15/h10-13,15,18H,4-9,14,20H2,1-3H3
InChIKeyFOBVXRYLNLLNST-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.34
Rot. Bonds3

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

1-(4-tert-butylphenyl)-2-cycloheptylethanamine (PubChem CID 114457473) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-cycloheptylethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-cycloheptylethanamine
PubChem CID114457473
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-(4-tert-butylphenyl)-2-cycloheptylethanamine
SMILESCC(C)(C)c1ccc(C(N)CC2CCCCCC2)cc1
InChIInChI=1S/C19H31N/c1-19(2,3)17-12-10-16(11-13-17)18(20)14-15-8-6-4-5-7-9-15/h10-13,15,18H,4-9,14,20H2,1-3H3
InChIKeyFOBVXRYLNLLNST-UHFFFAOYSA-N
XLogP5.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylphenyl)-2-(thian-4-yl)ethanamine
CID 105140456
1-(4-tert-butylphenyl)-3-cyclopentylpropan-1-amine
CID 43110325
2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine
CID 114457625
[2-bromo-2-(4-tert-butylphenyl)ethyl]cycloheptane
CID 114458720
1-(4-tert-butylphenyl)-2-(cyclopentylmethoxy)ethanamine
CID 66323254
2-cyclohexyl-1-(4-iodophenyl)ethanamine
CID 115841897
2-cycloheptyl-1-phenylethanamine
CID 21261900
1-(5-tert-butylthiophen-2-yl)-2-cycloheptylethanamine
CID 114457765
1-(4-cyclobutylphenyl)-2-cyclopentylethanamine
CID 105044997
2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine
CID 105051379
1-(4-tert-butylphenyl)-N'-(cyclobutylmethyl)-N'-methylethane-1,2-diamine
CID 62861303
2-cycloheptyl-1-(4-propoxyphenyl)ethanamine
CID 115853480

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-cycloheptylethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-2-cycloheptylethanamine (CID 114457473) is 1-(4-tert-butylphenyl)-2-cycloheptylethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-cycloheptylethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-cycloheptylethanamine is CC(C)(C)c1ccc(C(N)CC2CCCCCC2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-cycloheptylethanamine?
The InChIKey is FOBVXRYLNLLNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-19(2,3)17-12-10-16(11-13-17)18(20)14-15-8-6-4-5-7-9-15/h10-13,15,18H,4-9,14,20H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-cycloheptylethanamine?
1-(4-tert-butylphenyl)-2-cycloheptylethanamine has a molecular weight of 273.46 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-cycloheptylethanamine is sourced from PubChem (CID 114457473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).