1-(4-tert-butylphenyl)-3-cyclobutyl-N-ethylpropan-2-amine

C19H31N — CID 103168468

IUPAC1-(4-tert-butylphenyl)-3-cyclobutyl-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(C(C)(C)C)cc1)CC1CCC1
InChIInChI=1S/C19H31N/c1-5-20-18(13-15-7-6-8-15)14-16-9-11-17(12-10-16)19(2,3)4/h9-12,15,18,20H,5-8,13-14H2,1-4H3
InChIKeyGZWXTMBBEXSQEH-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.69
Rot. Bonds6

About 1-(4-tert-butylphenyl)-3-cyclobutyl-N-ethylpropan-2-amine

1-(4-tert-butylphenyl)-3-cyclobutyl-N-ethylpropan-2-amine (PubChem CID 103168468) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-cyclobutyl-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-cyclobutyl-N-ethylpropan-2-amine
PubChem CID103168468
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-(4-tert-butylphenyl)-3-cyclobutyl-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(C(C)(C)C)cc1)CC1CCC1
InChIInChI=1S/C19H31N/c1-5-20-18(13-15-7-6-8-15)14-16-9-11-17(12-10-16)19(2,3)4/h9-12,15,18,20H,5-8,13-14H2,1-4H3
InChIKeyGZWXTMBBEXSQEH-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 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 ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 65458139
1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine
CID 55188118
1-(4-tert-butylphenyl)-3-cyclobutylpropan-2-amine
CID 103168467
2-(4-tert-butylphenyl)-1-cyclohexyl-N-ethylethanamine
CID 63413965
1-(4-chloro-3-fluorophenyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 114013343
1-cyclobutyl-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 115863531
1-(4-tert-butylphenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 55108520
4-cyclopentyl-N-ethyl-1-phenylbutan-2-amine
CID 63526556
1-(4-chlorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine
CID 62601125
1-cyclobutyl-3-cyclopentyl-N-ethylpropan-2-amine
CID 115863503
1-(4-tert-butylphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
CID 65133115
1-(3-bromo-4-methoxyphenyl)-3-cyclopentyl-N-ethylpropan-2-amine
CID 115817876

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-cyclobutyl-N-ethylpropan-2-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-3-cyclobutyl-N-ethylpropan-2-amine (CID 103168468) is 1-(4-tert-butylphenyl)-3-cyclobutyl-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-cyclobutyl-N-ethylpropan-2-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-cyclobutyl-N-ethylpropan-2-amine is CCNC(Cc1ccc(C(C)(C)C)cc1)CC1CCC1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-cyclobutyl-N-ethylpropan-2-amine?
The InChIKey is GZWXTMBBEXSQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-5-20-18(13-15-7-6-8-15)14-16-9-11-17(12-10-16)19(2,3)4/h9-12,15,18,20H,5-8,13-14H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-3-cyclobutyl-N-ethylpropan-2-amine?
1-(4-tert-butylphenyl)-3-cyclobutyl-N-ethylpropan-2-amine has a molecular weight of 273.46 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-cyclobutyl-N-ethylpropan-2-amine is sourced from PubChem (CID 103168468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).