[1-[(5-bromo-2-propoxyphenyl)methylamino]cyclohexyl]methanol

C17H26BrNO2 — CID 62520098

IUPAC[1-[(5-bromo-2-propoxyphenyl)methylamino]cyclohexyl]methanol
SMILESCCCOc1ccc(Br)cc1CNC1(CO)CCCCC1
InChIInChI=1S/C17H26BrNO2/c1-2-10-21-16-7-6-15(18)11-14(16)12-19-17(13-20)8-4-3-5-9-17/h6-7,11,19-20H,2-5,8-10,12-13H2,1H3
InChIKeyRYQXRWAYJYFXDQ-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.02
Rot. Bonds7

About [1-[(5-bromo-2-propoxyphenyl)methylamino]cyclohexyl]methanol

[1-[(5-bromo-2-propoxyphenyl)methylamino]cyclohexyl]methanol (PubChem CID 62520098) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is [1-[(5-bromo-2-propoxyphenyl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(5-bromo-2-propoxyphenyl)methylamino]cyclohexyl]methanol
PubChem CID62520098
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC Name[1-[(5-bromo-2-propoxyphenyl)methylamino]cyclohexyl]methanol
SMILESCCCOc1ccc(Br)cc1CNC1(CO)CCCCC1
InChIInChI=1S/C17H26BrNO2/c1-2-10-21-16-7-6-15(18)11-14(16)12-19-17(13-20)8-4-3-5-9-17/h6-7,11,19-20H,2-5,8-10,12-13H2,1H3
InChIKeyRYQXRWAYJYFXDQ-UHFFFAOYSA-N
XLogP4.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[(5-bromo-2-propoxyphenyl)methylamino]cyclohexyl]methanol with MolForge

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Related Compounds

2-[(5-bromo-2-propoxyphenyl)methylamino]propane-1,3-diol
CID 65312603
1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine
CID 82706232
2-[(5-bromo-2-propoxyphenyl)methylamino]-2-ethylbutan-1-ol
CID 62518917
N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine
CID 29224796
[1-[(5-bromo-2-methoxyphenyl)methylamino]-3-methylcyclohexyl]methanol
CID 62551822
[1-[(4-bromo-2-chlorophenyl)methylamino]cyclopentyl]methanol
CID 115683768
[1-[(4-bromo-2-fluorophenyl)methylamino]cyclopentyl]methanol
CID 62522578
1-(5-bromo-2-propoxyphenyl)-N-(2-methylpropoxy)methanamine
CID 82712779
2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]prop-2-en-1-amine
CID 115614925
2-[[(5-bromo-2-propoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64929093
N-[(5-bromo-2-propoxyphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 114465957
[1-[(4-bromo-2-fluorophenyl)methylamino]cyclobutyl]methanol
CID 115733345

Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromo-2-propoxyphenyl)methylamino]cyclohexyl]methanol?
The IUPAC name of [1-[(5-bromo-2-propoxyphenyl)methylamino]cyclohexyl]methanol (CID 62520098) is [1-[(5-bromo-2-propoxyphenyl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(5-bromo-2-propoxyphenyl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [1-[(5-bromo-2-propoxyphenyl)methylamino]cyclohexyl]methanol is CCCOc1ccc(Br)cc1CNC1(CO)CCCCC1.
What is the InChIKey of [1-[(5-bromo-2-propoxyphenyl)methylamino]cyclohexyl]methanol?
The InChIKey is RYQXRWAYJYFXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-2-10-21-16-7-6-15(18)11-14(16)12-19-17(13-20)8-4-3-5-9-17/h6-7,11,19-20H,2-5,8-10,12-13H2,1H3.
What are the key properties of [1-[(5-bromo-2-propoxyphenyl)methylamino]cyclohexyl]methanol?
[1-[(5-bromo-2-propoxyphenyl)methylamino]cyclohexyl]methanol has a molecular weight of 356.30 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-bromo-2-propoxyphenyl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 62520098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).