3-(4-tert-butylphenyl)-1-cyclopropylpropan-1-amine

C16H25N — CID 55202631

IUPAC3-(4-tert-butylphenyl)-1-cyclopropylpropan-1-amine
SMILESCC(C)(C)c1ccc(CCC(N)C2CC2)cc1
InChIInChI=1S/C16H25N/c1-16(2,3)14-9-4-12(5-10-14)6-11-15(17)13-7-8-13/h4-5,9-10,13,15H,6-8,11,17H2,1-3H3
InChIKeyNRNDFEIGNQMHEO-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.65
Rot. Bonds4

About 3-(4-tert-butylphenyl)-1-cyclopropylpropan-1-amine

3-(4-tert-butylphenyl)-1-cyclopropylpropan-1-amine (PubChem CID 55202631) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-1-cyclopropylpropan-1-amine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-1-cyclopropylpropan-1-amine
PubChem CID55202631
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-(4-tert-butylphenyl)-1-cyclopropylpropan-1-amine
SMILESCC(C)(C)c1ccc(CCC(N)C2CC2)cc1
InChIInChI=1S/C16H25N/c1-16(2,3)14-9-4-12(5-10-14)6-11-15(17)13-7-8-13/h4-5,9-10,13,15H,6-8,11,17H2,1-3H3
InChIKeyNRNDFEIGNQMHEO-UHFFFAOYSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-tert-butylphenyl)-1-cyclohexylethanamine
CID 63411930
1-cyclobutyl-3-(4-methoxyphenyl)propan-1-amine
CID 65446100
2-(4-tert-butylphenoxy)-1-cyclopropylethanamine
CID 63914876
(1R)-1-cyclobutyl-3-phenylpropan-1-amine;hydrochloride
CID 11535925
1-cycloheptyl-3-phenylpropan-1-amine
CID 65399790
1-(4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine
CID 65391218
1-cyclobutyl-3-pyridin-4-ylpropan-1-amine
CID 105187569
1-cyclopropyl-3-(furan-3-yl)propan-1-amine
CID 64506064
2-(4-tert-butylphenyl)-1-cyclopropylethanol
CID 62608769
1-(oxan-4-yl)-3-phenylpropan-1-amine
CID 63935277
1-(4-tert-butylphenyl)-4-phenylbutan-2-amine
CID 63417179
1-(4-tert-butylphenyl)-3-cyclobutylpropan-2-amine
CID 103168467

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-1-cyclopropylpropan-1-amine?
The IUPAC name of 3-(4-tert-butylphenyl)-1-cyclopropylpropan-1-amine (CID 55202631) is 3-(4-tert-butylphenyl)-1-cyclopropylpropan-1-amine.
What is the SMILES notation for 3-(4-tert-butylphenyl)-1-cyclopropylpropan-1-amine?
The canonical SMILES for 3-(4-tert-butylphenyl)-1-cyclopropylpropan-1-amine is CC(C)(C)c1ccc(CCC(N)C2CC2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-1-cyclopropylpropan-1-amine?
The InChIKey is NRNDFEIGNQMHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-16(2,3)14-9-4-12(5-10-14)6-11-15(17)13-7-8-13/h4-5,9-10,13,15H,6-8,11,17H2,1-3H3.
What are the key properties of 3-(4-tert-butylphenyl)-1-cyclopropylpropan-1-amine?
3-(4-tert-butylphenyl)-1-cyclopropylpropan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-1-cyclopropylpropan-1-amine is sourced from PubChem (CID 55202631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).