1-(4-bromo-2-chlorophenyl)-3-(4-ethylazepan-1-yl)propan-1-ol

C17H25BrClNO — CID 82776674

IUPAC1-(4-bromo-2-chlorophenyl)-3-(4-ethylazepan-1-yl)propan-1-ol
SMILESCCC1CCCN(CCC(O)c2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C17H25BrClNO/c1-2-13-4-3-9-20(10-7-13)11-8-17(21)15-6-5-14(18)12-16(15)19/h5-6,12-13,17,21H,2-4,7-11H2,1H3
InChIKeyCPZWSGHGUIADED-UHFFFAOYSA-N
MW374.75 g/mol
LogP5.04
Rot. Bonds5

About 1-(4-bromo-2-chlorophenyl)-3-(4-ethylazepan-1-yl)propan-1-ol

1-(4-bromo-2-chlorophenyl)-3-(4-ethylazepan-1-yl)propan-1-ol (PubChem CID 82776674) has the molecular formula C17H25BrClNO and a molecular weight of 374.75 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-(4-ethylazepan-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-(4-ethylazepan-1-yl)propan-1-ol
PubChem CID82776674
Molecular FormulaC17H25BrClNO
Molecular Weight374.75 g/mol
Exact Mass373.08
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-(4-ethylazepan-1-yl)propan-1-ol
SMILESCCC1CCCN(CCC(O)c2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C17H25BrClNO/c1-2-13-4-3-9-20(10-7-13)11-8-17(21)15-6-5-14(18)12-16(15)19/h5-6,12-13,17,21H,2-4,7-11H2,1H3
InChIKeyCPZWSGHGUIADED-UHFFFAOYSA-N
XLogP5.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.75
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2-chlorophenyl)-3-(4-ethylazepan-1-yl)propan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-bromo-2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-ol
CID 82775693
1-(4-bromo-2-chlorophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 82780475
1-(4-bromo-2-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 82781078
1-(4-bromo-2-chlorophenyl)-3-thiomorpholin-4-ylpropan-1-ol
CID 82781081
1-(4-bromo-2-chlorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-ol
CID 107395258
1-(4-bromo-2-chlorophenyl)-3-cyclopropylpropan-1-ol
CID 115810893
1-(4-bromo-2-chlorophenyl)-3-(2,2-dimethylmorpholin-4-yl)propan-1-ol
CID 82780908
1-(4-bromo-2-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol
CID 82781196
1-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103502648
1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]piperidin-3-ol
CID 82779683
1-(4-bromo-2-chlorophenyl)-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
CID 82779326
5-bromo-2-[(4-ethylazepan-1-yl)methyl]aniline
CID 79713595

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(4-ethylazepan-1-yl)propan-1-ol?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-(4-ethylazepan-1-yl)propan-1-ol (CID 82776674) is 1-(4-bromo-2-chlorophenyl)-3-(4-ethylazepan-1-yl)propan-1-ol.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-(4-ethylazepan-1-yl)propan-1-ol?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-(4-ethylazepan-1-yl)propan-1-ol is CCC1CCCN(CCC(O)c2ccc(Br)cc2Cl)CC1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-(4-ethylazepan-1-yl)propan-1-ol?
The InChIKey is CPZWSGHGUIADED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrClNO/c1-2-13-4-3-9-20(10-7-13)11-8-17(21)15-6-5-14(18)12-16(15)19/h5-6,12-13,17,21H,2-4,7-11H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-(4-ethylazepan-1-yl)propan-1-ol?
1-(4-bromo-2-chlorophenyl)-3-(4-ethylazepan-1-yl)propan-1-ol has a molecular weight of 374.75 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-(4-ethylazepan-1-yl)propan-1-ol is sourced from PubChem (CID 82776674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).