1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanamine

C14H19BrClN — CID 114027016

IUPAC1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanamine
SMILESNC(CC1CCCCC1)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H19BrClN/c15-13-7-6-11(16)9-12(13)14(17)8-10-4-2-1-3-5-10/h6-7,9-10,14H,1-5,8,17H2
InChIKeyJGNAQYXEYHPKLZ-UHFFFAOYSA-N
MW316.67 g/mol
LogP5.07
Rot. Bonds3

About 1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanamine

1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanamine (PubChem CID 114027016) has the molecular formula C14H19BrClN and a molecular weight of 316.67 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanamine
PubChem CID114027016
Molecular FormulaC14H19BrClN
Molecular Weight316.67 g/mol
Exact Mass315.04
IUPAC Name1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanamine
SMILESNC(CC1CCCCC1)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H19BrClN/c15-13-7-6-11(16)9-12(13)14(17)8-10-4-2-1-3-5-10/h6-7,9-10,14H,1-5,8,17H2
InChIKeyJGNAQYXEYHPKLZ-UHFFFAOYSA-N
XLogP5.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.67
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanol
CID 66156275
(1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclohexylethanol
CID 171262028
(R)-(2-bromo-5-chlorophenyl)-cyclopropylmethanamine
CID 97290672
1-(2-chloro-4,5-difluorophenyl)-2-cycloheptylethanamine
CID 107476113
(S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171223307
2-cyclohexyl-1-(2,5-dibromo-4-methylphenyl)ethanamine
CID 81473835
1-(2-bromo-5-chlorophenyl)-2-cyclopropylethanol
CID 112630970
1-(3-bromo-2,6-difluorophenyl)-2-cycloheptylethanamine
CID 106944608
1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine
CID 114457720
(1S)-1-(2-bromo-5-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171223288
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclobutylethanamine
CID 103162683
1-(4-bromo-2,5-dimethoxyphenyl)-2-cycloheptylethanamine
CID 105056685

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanamine?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanamine (CID 114027016) is 1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanamine.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanamine?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanamine is NC(CC1CCCCC1)c1cc(Cl)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanamine?
The InChIKey is JGNAQYXEYHPKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN/c15-13-7-6-11(16)9-12(13)14(17)8-10-4-2-1-3-5-10/h6-7,9-10,14H,1-5,8,17H2.
What are the key properties of 1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanamine?
1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanamine has a molecular weight of 316.67 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanamine is sourced from PubChem (CID 114027016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).