(2-cyclobutylphenyl)-(2,4-dibromophenyl)methanamine

C17H17Br2N — CID 107946938

IUPAC(2-cyclobutylphenyl)-(2,4-dibromophenyl)methanamine
SMILESNC(c1ccc(Br)cc1Br)c1ccccc1C1CCC1
InChIInChI=1S/C17H17Br2N/c18-12-8-9-15(16(19)10-12)17(20)14-7-2-1-6-13(14)11-4-3-5-11/h1-2,6-11,17H,3-5,20H2
InChIKeyAETPTCSIPQKADY-UHFFFAOYSA-N
MW395.14 g/mol
LogP5.53
Rot. Bonds3

About (2-cyclobutylphenyl)-(2,4-dibromophenyl)methanamine

(2-cyclobutylphenyl)-(2,4-dibromophenyl)methanamine (PubChem CID 107946938) has the molecular formula C17H17Br2N and a molecular weight of 395.14 g/mol. Its IUPAC name is (2-cyclobutylphenyl)-(2,4-dibromophenyl)methanamine.

Molecular Properties

Compound Name(2-cyclobutylphenyl)-(2,4-dibromophenyl)methanamine
PubChem CID107946938
Molecular FormulaC17H17Br2N
Molecular Weight395.14 g/mol
Exact Mass392.97
IUPAC Name(2-cyclobutylphenyl)-(2,4-dibromophenyl)methanamine
SMILESNC(c1ccc(Br)cc1Br)c1ccccc1C1CCC1
InChIInChI=1S/C17H17Br2N/c18-12-8-9-15(16(19)10-12)17(20)14-7-2-1-6-13(14)11-4-3-5-11/h1-2,6-11,17H,3-5,20H2
InChIKeyAETPTCSIPQKADY-UHFFFAOYSA-N
XLogP5.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.14
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2-methoxyphenyl)-(2-cyclobutylphenyl)methanamine
CID 105052432
(4-bromo-2,6-difluorophenyl)-(2-cyclobutylphenyl)methanamine
CID 105052438
(2-bromo-5-methoxyphenyl)-(2-cyclobutylphenyl)methanamine
CID 105188852
(2-cyclobutylphenyl)-(2-fluoro-4-methylphenyl)methanamine
CID 105052284
2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanamine
CID 114602566
(2-cyclobutylphenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791150
(2-cyclobutylphenyl)-(4-methylphenyl)methanamine
CID 114602558
(2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 114602556
(2-cyclobutylphenyl)-pyridin-4-ylmethanamine
CID 114602569
(2-cyclobutylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503001
(2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methanamine
CID 114604077
(2-cyclobutylphenyl)-cyclopropylmethanamine
CID 114602603

Frequently Asked Questions

What is the IUPAC name of (2-cyclobutylphenyl)-(2,4-dibromophenyl)methanamine?
The IUPAC name of (2-cyclobutylphenyl)-(2,4-dibromophenyl)methanamine (CID 107946938) is (2-cyclobutylphenyl)-(2,4-dibromophenyl)methanamine.
What is the SMILES notation for (2-cyclobutylphenyl)-(2,4-dibromophenyl)methanamine?
The canonical SMILES for (2-cyclobutylphenyl)-(2,4-dibromophenyl)methanamine is NC(c1ccc(Br)cc1Br)c1ccccc1C1CCC1.
What is the InChIKey of (2-cyclobutylphenyl)-(2,4-dibromophenyl)methanamine?
The InChIKey is AETPTCSIPQKADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br2N/c18-12-8-9-15(16(19)10-12)17(20)14-7-2-1-6-13(14)11-4-3-5-11/h1-2,6-11,17H,3-5,20H2.
What are the key properties of (2-cyclobutylphenyl)-(2,4-dibromophenyl)methanamine?
(2-cyclobutylphenyl)-(2,4-dibromophenyl)methanamine has a molecular weight of 395.14 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutylphenyl)-(2,4-dibromophenyl)methanamine is sourced from PubChem (CID 107946938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).