1-[4-(4-bromophenyl)cyclohexyl]ethanamine;hydrochloride

C14H21BrClN — CID 3087174

IUPAC1-[4-(4-bromophenyl)cyclohexyl]ethanamine;hydrochloride
SMILESCC(N)C1CCC(c2ccc(Br)cc2)CC1.Cl
InChIInChI=1S/C14H20BrN.ClH/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13;/h6-12H,2-5,16H2,1H3;1H
InChIKeyZUZZZOFENQFNRS-UHFFFAOYSA-N
MW318.69 g/mol
LogP4.49
Rot. Bonds2

About 1-[4-(4-bromophenyl)cyclohexyl]ethanamine;hydrochloride

1-[4-(4-bromophenyl)cyclohexyl]ethanamine;hydrochloride (PubChem CID 3087174) has the molecular formula C14H21BrClN and a molecular weight of 318.69 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)cyclohexyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)cyclohexyl]ethanamine;hydrochloride
PubChem CID3087174
Molecular FormulaC14H21BrClN
Molecular Weight318.69 g/mol
Exact Mass317.05
IUPAC Name1-[4-(4-bromophenyl)cyclohexyl]ethanamine;hydrochloride
SMILESCC(N)C1CCC(c2ccc(Br)cc2)CC1.Cl
InChIInChI=1S/C14H20BrN.ClH/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13;/h6-12H,2-5,16H2,1H3;1H
InChIKeyZUZZZOFENQFNRS-UHFFFAOYSA-N
XLogP4.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.69
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)cyclohexyl]ethanamine;hydrochloride?
The IUPAC name of 1-[4-(4-bromophenyl)cyclohexyl]ethanamine;hydrochloride (CID 3087174) is 1-[4-(4-bromophenyl)cyclohexyl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[4-(4-bromophenyl)cyclohexyl]ethanamine;hydrochloride?
The canonical SMILES for 1-[4-(4-bromophenyl)cyclohexyl]ethanamine;hydrochloride is CC(N)C1CCC(c2ccc(Br)cc2)CC1.Cl.
What is the InChIKey of 1-[4-(4-bromophenyl)cyclohexyl]ethanamine;hydrochloride?
The InChIKey is ZUZZZOFENQFNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN.ClH/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13;/h6-12H,2-5,16H2,1H3;1H.
What are the key properties of 1-[4-(4-bromophenyl)cyclohexyl]ethanamine;hydrochloride?
1-[4-(4-bromophenyl)cyclohexyl]ethanamine;hydrochloride has a molecular weight of 318.69 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenyl)cyclohexyl]ethanamine;hydrochloride is sourced from PubChem (CID 3087174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).