1-(4-bromophenyl)-1-cyclohexyl-3-(diethylamino)propan-1-ol;hydrochloride

C19H31BrClNO — CID 23039582

IUPAC1-(4-bromophenyl)-1-cyclohexyl-3-(diethylamino)propan-1-ol;hydrochloride
SMILESCCN(CC)CCC(O)(c1ccc(Br)cc1)C1CCCCC1.Cl
InChIInChI=1S/C19H30BrNO.ClH/c1-3-21(4-2)15-14-19(22,16-8-6-5-7-9-16)17-10-12-18(20)13-11-17;/h10-13,16,22H,3-9,14-15H2,1-2H3;1H
InChIKeyNJDQNSADSZQSFY-UHFFFAOYSA-N
MW404.82 g/mol
LogP5.37
Rot. Bonds7

About 1-(4-bromophenyl)-1-cyclohexyl-3-(diethylamino)propan-1-ol;hydrochloride

1-(4-bromophenyl)-1-cyclohexyl-3-(diethylamino)propan-1-ol;hydrochloride (PubChem CID 23039582) has the molecular formula C19H31BrClNO and a molecular weight of 404.82 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-cyclohexyl-3-(diethylamino)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-cyclohexyl-3-(diethylamino)propan-1-ol;hydrochloride
PubChem CID23039582
Molecular FormulaC19H31BrClNO
Molecular Weight404.82 g/mol
Exact Mass403.13
IUPAC Name1-(4-bromophenyl)-1-cyclohexyl-3-(diethylamino)propan-1-ol;hydrochloride
SMILESCCN(CC)CCC(O)(c1ccc(Br)cc1)C1CCCCC1.Cl
InChIInChI=1S/C19H30BrNO.ClH/c1-3-21(4-2)15-14-19(22,16-8-6-5-7-9-16)17-10-12-18(20)13-11-17;/h10-13,16,22H,3-9,14-15H2,1-2H3;1H
InChIKeyNJDQNSADSZQSFY-UHFFFAOYSA-N
XLogP5.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.82
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)-1-cyclohexyl-3-(diethylamino)propan-1-ol;hydrochloride 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

CID 5572
CID 5572
CID 4919
CID 4919
CID 66007
CID 66007
CID 207841
CID 207841
CID 20299
CID 20299
CID 20298
CID 20298
CID 93911
CID 93911
CID 207838
CID 207838
CID 72169
CID 72169
CID 4945
CID 4945
CID 10093682
CID 10093682
CID 114547
CID 114547

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-cyclohexyl-3-(diethylamino)propan-1-ol;hydrochloride?
The IUPAC name of 1-(4-bromophenyl)-1-cyclohexyl-3-(diethylamino)propan-1-ol;hydrochloride (CID 23039582) is 1-(4-bromophenyl)-1-cyclohexyl-3-(diethylamino)propan-1-ol;hydrochloride.
What is the SMILES notation for 1-(4-bromophenyl)-1-cyclohexyl-3-(diethylamino)propan-1-ol;hydrochloride?
The canonical SMILES for 1-(4-bromophenyl)-1-cyclohexyl-3-(diethylamino)propan-1-ol;hydrochloride is CCN(CC)CCC(O)(c1ccc(Br)cc1)C1CCCCC1.Cl.
What is the InChIKey of 1-(4-bromophenyl)-1-cyclohexyl-3-(diethylamino)propan-1-ol;hydrochloride?
The InChIKey is NJDQNSADSZQSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30BrNO.ClH/c1-3-21(4-2)15-14-19(22,16-8-6-5-7-9-16)17-10-12-18(20)13-11-17;/h10-13,16,22H,3-9,14-15H2,1-2H3;1H.
What are the key properties of 1-(4-bromophenyl)-1-cyclohexyl-3-(diethylamino)propan-1-ol;hydrochloride?
1-(4-bromophenyl)-1-cyclohexyl-3-(diethylamino)propan-1-ol;hydrochloride has a molecular weight of 404.82 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-cyclohexyl-3-(diethylamino)propan-1-ol;hydrochloride is sourced from PubChem (CID 23039582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).