(4-bromophenyl)-(2-ethylcyclohexyl)methanamine

C15H22BrN — CID 55251169

IUPAC(4-bromophenyl)-(2-ethylcyclohexyl)methanamine
SMILESCCC1CCCCC1C(N)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrN/c1-2-11-5-3-4-6-14(11)15(17)12-7-9-13(16)10-8-12/h7-11,14-15H,2-6,17H2,1H3
InChIKeyUFSOVYZZFHVODO-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.67
Rot. Bonds3

About (4-bromophenyl)-(2-ethylcyclohexyl)methanamine

(4-bromophenyl)-(2-ethylcyclohexyl)methanamine (PubChem CID 55251169) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is (4-bromophenyl)-(2-ethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-bromophenyl)-(2-ethylcyclohexyl)methanamine
PubChem CID55251169
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name(4-bromophenyl)-(2-ethylcyclohexyl)methanamine
SMILESCCC1CCCCC1C(N)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrN/c1-2-11-5-3-4-6-14(11)15(17)12-7-9-13(16)10-8-12/h7-11,14-15H,2-6,17H2,1H3
InChIKeyUFSOVYZZFHVODO-UHFFFAOYSA-N
XLogP4.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanamine
CID 115566736
(3-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine
CID 63863285
(2-ethylcyclohexyl)-(3,4,5-trifluorophenyl)methanamine
CID 63861115
2,3-dihydro-1-benzofuran-5-yl-(2-ethylcyclohexyl)methanamine
CID 115862636
(2-ethylcyclohexyl)-(5-methyl-3-pyridinyl)methanamine
CID 105151254
cyclopentyl-(2-ethylcyclohexyl)methanamine
CID 63861297
(2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanamine
CID 79722319
(4-bromophenyl)-piperidin-2-ylmethanamine
CID 116935638
(2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine
CID 63861305
1-(2-ethylcyclohexyl)-2-phenylethanamine
CID 63862721
1-benzothiophen-3-yl-(2-ethylcyclohexyl)methanamine
CID 115862520
(2-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanamine
CID 82896494

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(2-ethylcyclohexyl)methanamine?
The IUPAC name of (4-bromophenyl)-(2-ethylcyclohexyl)methanamine (CID 55251169) is (4-bromophenyl)-(2-ethylcyclohexyl)methanamine.
What is the SMILES notation for (4-bromophenyl)-(2-ethylcyclohexyl)methanamine?
The canonical SMILES for (4-bromophenyl)-(2-ethylcyclohexyl)methanamine is CCC1CCCCC1C(N)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-(2-ethylcyclohexyl)methanamine?
The InChIKey is UFSOVYZZFHVODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-2-11-5-3-4-6-14(11)15(17)12-7-9-13(16)10-8-12/h7-11,14-15H,2-6,17H2,1H3.
What are the key properties of (4-bromophenyl)-(2-ethylcyclohexyl)methanamine?
(4-bromophenyl)-(2-ethylcyclohexyl)methanamine has a molecular weight of 296.25 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(2-ethylcyclohexyl)methanamine is sourced from PubChem (CID 55251169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).