1-(3-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol

C17H26BrNO — CID 62617811

IUPAC1-(3-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol
SMILESCC1CCCCC1N(C)CCC(O)c1cccc(Br)c1
InChIInChI=1S/C17H26BrNO/c1-13-6-3-4-9-16(13)19(2)11-10-17(20)14-7-5-8-15(18)12-14/h5,7-8,12-13,16-17,20H,3-4,6,9-11H2,1-2H3
InChIKeyMRFNGHBMNSEHMN-UHFFFAOYSA-N
MW340.30 g/mol
LogP4.38
Rot. Bonds5

About 1-(3-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol

1-(3-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol (PubChem CID 62617811) has the molecular formula C17H26BrNO and a molecular weight of 340.30 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol
PubChem CID62617811
Molecular FormulaC17H26BrNO
Molecular Weight340.30 g/mol
Exact Mass339.12
IUPAC Name1-(3-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol
SMILESCC1CCCCC1N(C)CCC(O)c1cccc(Br)c1
InChIInChI=1S/C17H26BrNO/c1-13-6-3-4-9-16(13)19(2)11-10-17(20)14-7-5-8-15(18)12-14/h5,7-8,12-13,16-17,20H,3-4,6,9-11H2,1-2H3
InChIKeyMRFNGHBMNSEHMN-UHFFFAOYSA-N
XLogP4.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol
CID 62617810
1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol
CID 82777715
1-(3-bromophenyl)-3-[cyclohexylmethyl(methyl)amino]propan-1-ol
CID 62618495
1-(3-bromophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol
CID 62619701
N-(3-bromophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine
CID 63504280
1-(3-bromophenyl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 63234218
1-(3-bromophenyl)-3-[propan-2-yl(propyl)amino]propan-1-ol
CID 55098854
1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol
CID 55099187
1-(3-bromophenyl)-3-[methyl(3-methylsulfanylpropyl)amino]propan-1-ol
CID 114238120
1-(3-bromophenyl)-3-[(4-bromophenyl)methyl-methylamino]propan-1-ol
CID 63489449
1-(3-bromophenyl)butan-1-ol
CID 18417756
1-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol
CID 65486726

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol?
The IUPAC name of 1-(3-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol (CID 62617811) is 1-(3-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol.
What is the SMILES notation for 1-(3-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol?
The canonical SMILES for 1-(3-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol is CC1CCCCC1N(C)CCC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol?
The InChIKey is MRFNGHBMNSEHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-13-6-3-4-9-16(13)19(2)11-10-17(20)14-7-5-8-15(18)12-14/h5,7-8,12-13,16-17,20H,3-4,6,9-11H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol?
1-(3-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol has a molecular weight of 340.30 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol is sourced from PubChem (CID 62617811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).