1-benzyl-2-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol;hydrochloride

C22H29BrClNO — CID 131723349

IUPAC1-benzyl-2-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol;hydrochloride
SMILESCN(C)C(c1ccc(Br)cc1)C1CCCCC1(O)Cc1ccccc1.Cl
InChIInChI=1S/C22H28BrNO.ClH/c1-24(2)21(18-11-13-19(23)14-12-18)20-10-6-7-15-22(20,25)16-17-8-4-3-5-9-17;/h3-5,8-9,11-14,20-21,25H,6-7,10,15-16H2,1-2H3;1H
InChIKeyHBNYIXWVUYSXTF-UHFFFAOYSA-N
MW438.84 g/mol
LogP5.64
Rot. Bonds5

About 1-benzyl-2-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol;hydrochloride

1-benzyl-2-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol;hydrochloride (PubChem CID 131723349) has the molecular formula C22H29BrClNO and a molecular weight of 438.84 g/mol. Its IUPAC name is 1-benzyl-2-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-benzyl-2-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol;hydrochloride
PubChem CID131723349
Molecular FormulaC22H29BrClNO
Molecular Weight438.84 g/mol
Exact Mass437.11
IUPAC Name1-benzyl-2-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol;hydrochloride
SMILESCN(C)C(c1ccc(Br)cc1)C1CCCCC1(O)Cc1ccccc1.Cl
InChIInChI=1S/C22H28BrNO.ClH/c1-24(2)21(18-11-13-19(23)14-12-18)20-10-6-7-15-22(20,25)16-17-8-4-3-5-9-17;/h3-5,8-9,11-14,20-21,25H,6-7,10,15-16H2,1-2H3;1H
InChIKeyHBNYIXWVUYSXTF-UHFFFAOYSA-N
XLogP5.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.84
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2-[dimethylamino(naphthalen-2-yl)methyl]cyclohexan-1-ol;hydrochloride
CID 131723357
2-[dimethylamino-[4-(trifluoromethyl)phenyl]methyl]-1-[(3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 22447889
2-[(2-bromophenyl)-(dimethylamino)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol
CID 10274281
2-benzyl-N-[2-[(2-benzyl-2-hydroxycyclohexanecarbonyl)-methylamino]ethyl]-2-hydroxy-N-methylcyclohexane-1-carboxamide
CID 145487640
cis-(1S,2S)-2-[dimethylamino(phenyl)methyl]cycloheptan-1-ol;hydrochloride
CID 70600717
1-benzyl-2,3-dimethylcyclohexan-1-ol
CID 64754174
1-benzyl-2-[1-(dimethylamino)-2-phenylethyl]-4-phenylcyclohexan-1-ol
CID 174385984
1-benzyl-2-[(dimethylamino)methyl]-5,5-dimethylcyclohexan-1-ol
CID 13247476
4-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol
CID 116911196
2-[dimethylamino-(2-methoxyphenyl)methyl]-1-[2-(2-fluorophenyl)ethyl]cyclohexan-1-ol
CID 10200111
2-methoxy-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
CID 106873705
1-benzyl-2-methylsulfonylcyclopentan-1-ol
CID 65049982

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol;hydrochloride?
The IUPAC name of 1-benzyl-2-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol;hydrochloride (CID 131723349) is 1-benzyl-2-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 1-benzyl-2-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol;hydrochloride?
The canonical SMILES for 1-benzyl-2-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol;hydrochloride is CN(C)C(c1ccc(Br)cc1)C1CCCCC1(O)Cc1ccccc1.Cl.
What is the InChIKey of 1-benzyl-2-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol;hydrochloride?
The InChIKey is HBNYIXWVUYSXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BrNO.ClH/c1-24(2)21(18-11-13-19(23)14-12-18)20-10-6-7-15-22(20,25)16-17-8-4-3-5-9-17;/h3-5,8-9,11-14,20-21,25H,6-7,10,15-16H2,1-2H3;1H.
What are the key properties of 1-benzyl-2-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol;hydrochloride?
1-benzyl-2-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol;hydrochloride has a molecular weight of 438.84 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 131723349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).