1-[4-(4-bromophenyl)cyclohexyl]butan-2-amine;hydrochloride

C16H25BrClN — CID 170890828

IUPAC1-[4-(4-bromophenyl)cyclohexyl]butan-2-amine;hydrochloride
SMILESCCC(N)CC1CCC(c2ccc(Br)cc2)CC1.Cl
InChIInChI=1S/C16H24BrN.ClH/c1-2-16(18)11-12-3-5-13(6-4-12)14-7-9-15(17)10-8-14;/h7-10,12-13,16H,2-6,11,18H2,1H3;1H
InChIKeyGEMRFCSESHUHEZ-UHFFFAOYSA-N
MW346.74 g/mol
LogP5.27
Rot. Bonds4

About 1-[4-(4-bromophenyl)cyclohexyl]butan-2-amine;hydrochloride

1-[4-(4-bromophenyl)cyclohexyl]butan-2-amine;hydrochloride (PubChem CID 170890828) has the molecular formula C16H25BrClN and a molecular weight of 346.74 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)cyclohexyl]butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)cyclohexyl]butan-2-amine;hydrochloride
PubChem CID170890828
Molecular FormulaC16H25BrClN
Molecular Weight346.74 g/mol
Exact Mass345.09
IUPAC Name1-[4-(4-bromophenyl)cyclohexyl]butan-2-amine;hydrochloride
SMILESCCC(N)CC1CCC(c2ccc(Br)cc2)CC1.Cl
InChIInChI=1S/C16H24BrN.ClH/c1-2-16(18)11-12-3-5-13(6-4-12)14-7-9-15(17)10-8-14;/h7-10,12-13,16H,2-6,11,18H2,1H3;1H
InChIKeyGEMRFCSESHUHEZ-UHFFFAOYSA-N
XLogP5.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.74
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[4-(4-bromophenyl)cyclohexyl]butan-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)cyclohexyl]butan-2-amine;hydrochloride?
The IUPAC name of 1-[4-(4-bromophenyl)cyclohexyl]butan-2-amine;hydrochloride (CID 170890828) is 1-[4-(4-bromophenyl)cyclohexyl]butan-2-amine;hydrochloride.
What is the SMILES notation for 1-[4-(4-bromophenyl)cyclohexyl]butan-2-amine;hydrochloride?
The canonical SMILES for 1-[4-(4-bromophenyl)cyclohexyl]butan-2-amine;hydrochloride is CCC(N)CC1CCC(c2ccc(Br)cc2)CC1.Cl.
What is the InChIKey of 1-[4-(4-bromophenyl)cyclohexyl]butan-2-amine;hydrochloride?
The InChIKey is GEMRFCSESHUHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN.ClH/c1-2-16(18)11-12-3-5-13(6-4-12)14-7-9-15(17)10-8-14;/h7-10,12-13,16H,2-6,11,18H2,1H3;1H.
What are the key properties of 1-[4-(4-bromophenyl)cyclohexyl]butan-2-amine;hydrochloride?
1-[4-(4-bromophenyl)cyclohexyl]butan-2-amine;hydrochloride has a molecular weight of 346.74 g/mol, XLogP of 5.27, 4 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]butan-2-amine;hydrochloride is sourced from PubChem (CID 170890828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).