2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanamine

C18H20BrN — CID 114602566

IUPAC2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanamine
SMILESNC(Cc1ccc(Br)cc1)c1ccccc1C1CCC1
InChIInChI=1S/C18H20BrN/c19-15-10-8-13(9-11-15)12-18(20)17-7-2-1-6-16(17)14-4-3-5-14/h1-2,6-11,14,18H,3-5,12,20H2
InChIKeyVVEITDSOUUMYIY-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.96
Rot. Bonds4

About 2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanamine

2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanamine (PubChem CID 114602566) has the molecular formula C18H20BrN and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanamine
PubChem CID114602566
Molecular FormulaC18H20BrN
Molecular Weight330.27 g/mol
Exact Mass329.08
IUPAC Name2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanamine
SMILESNC(Cc1ccc(Br)cc1)c1ccccc1C1CCC1
InChIInChI=1S/C18H20BrN/c19-15-10-8-13(9-11-15)12-18(20)17-7-2-1-6-16(17)14-4-3-5-14/h1-2,6-11,14,18H,3-5,12,20H2
InChIKeyVVEITDSOUUMYIY-UHFFFAOYSA-N
XLogP4.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-cyclobutylphenyl)-2-pyridin-4-ylethanamine
CID 114602881
(2-cyclobutylphenyl)-(2,4-dibromophenyl)methanamine
CID 107946938
1-(4-bromophenyl)-1-(2-cyclobutylphenyl)-N-methylmethanamine
CID 114602530
(2-cyclobutylphenyl)-cyclopropylmethanamine
CID 114602603
(4-bromo-2,6-difluorophenyl)-(2-cyclobutylphenyl)methanamine
CID 105052438
(4-bromo-2-methoxyphenyl)-(2-cyclobutylphenyl)methanamine
CID 105052432
1-(4-bromonaphthalen-1-yl)-2-(4-bromophenyl)ethanamine
CID 79589925
1-(2-cyclobutylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 114602862
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-cyclobutylphenyl)ethanamine
CID 105052415
2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 81477646
2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanone
CID 114601706
(2-cyclobutylphenyl)-(1-methylcyclopropyl)methanamine
CID 114604111

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanamine (CID 114602566) is 2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanamine is NC(Cc1ccc(Br)cc1)c1ccccc1C1CCC1.
What is the InChIKey of 2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanamine?
The InChIKey is VVEITDSOUUMYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN/c19-15-10-8-13(9-11-15)12-18(20)17-7-2-1-6-16(17)14-4-3-5-14/h1-2,6-11,14,18H,3-5,12,20H2.
What are the key properties of 2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanamine?
2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanamine has a molecular weight of 330.27 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanamine is sourced from PubChem (CID 114602566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).