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

C17H26BrNO — CID 62618495

IUPAC1-(3-bromophenyl)-3-[cyclohexylmethyl(methyl)amino]propan-1-ol
SMILESCN(CCC(O)c1cccc(Br)c1)CC1CCCCC1
InChIInChI=1S/C17H26BrNO/c1-19(13-14-6-3-2-4-7-14)11-10-17(20)15-8-5-9-16(18)12-15/h5,8-9,12,14,17,20H,2-4,6-7,10-11,13H2,1H3
InChIKeyCNFAYTDYKOGRRR-UHFFFAOYSA-N
MW340.30 g/mol
LogP4.38
Rot. Bonds6

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

1-(3-bromophenyl)-3-[cyclohexylmethyl(methyl)amino]propan-1-ol (PubChem CID 62618495) has the molecular formula C17H26BrNO and a molecular weight of 340.30 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[cyclohexylmethyl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[cyclohexylmethyl(methyl)amino]propan-1-ol
PubChem CID62618495
Molecular FormulaC17H26BrNO
Molecular Weight340.30 g/mol
Exact Mass339.12
IUPAC Name1-(3-bromophenyl)-3-[cyclohexylmethyl(methyl)amino]propan-1-ol
SMILESCN(CCC(O)c1cccc(Br)c1)CC1CCCCC1
InChIInChI=1S/C17H26BrNO/c1-19(13-14-6-3-2-4-7-14)11-10-17(20)15-8-5-9-16(18)12-15/h5,8-9,12,14,17,20H,2-4,6-7,10-11,13H2,1H3
InChIKeyCNFAYTDYKOGRRR-UHFFFAOYSA-N
XLogP4.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-(3-bromophenyl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 63234218
1-(3-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propan-1-ol
CID 63655492
1-(3-bromophenyl)-N'-(cyclopentylmethyl)-N-ethyl-N'-methylpropane-1,3-diamine
CID 63633029
1-(3-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol
CID 62617811
1-(3-bromophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol
CID 62619701
1-(3-bromophenyl)-3-[(4-bromophenyl)methyl-methylamino]propan-1-ol
CID 63489449
1-(3-chlorophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol
CID 63713720
1-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol
CID 65486726
1-(3-bromophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanol
CID 110902060
1-(3-bromophenyl)-2-cyclobutylethanol
CID 65457872
1-(3-bromophenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine
CID 61444453
1-(3-bromophenyl)-3-[methyl(3-methylsulfanylpropyl)amino]propan-1-ol
CID 114238120

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[cyclohexylmethyl(methyl)amino]propan-1-ol?
The IUPAC name of 1-(3-bromophenyl)-3-[cyclohexylmethyl(methyl)amino]propan-1-ol (CID 62618495) is 1-(3-bromophenyl)-3-[cyclohexylmethyl(methyl)amino]propan-1-ol.
What is the SMILES notation for 1-(3-bromophenyl)-3-[cyclohexylmethyl(methyl)amino]propan-1-ol?
The canonical SMILES for 1-(3-bromophenyl)-3-[cyclohexylmethyl(methyl)amino]propan-1-ol is CN(CCC(O)c1cccc(Br)c1)CC1CCCCC1.
What is the InChIKey of 1-(3-bromophenyl)-3-[cyclohexylmethyl(methyl)amino]propan-1-ol?
The InChIKey is CNFAYTDYKOGRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-19(13-14-6-3-2-4-7-14)11-10-17(20)15-8-5-9-16(18)12-15/h5,8-9,12,14,17,20H,2-4,6-7,10-11,13H2,1H3.
What are the key properties of 1-(3-bromophenyl)-3-[cyclohexylmethyl(methyl)amino]propan-1-ol?
1-(3-bromophenyl)-3-[cyclohexylmethyl(methyl)amino]propan-1-ol has a molecular weight of 340.30 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[cyclohexylmethyl(methyl)amino]propan-1-ol is sourced from PubChem (CID 62618495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).