1-[[1-(2-fluoro-4-methoxyphenyl)ethylamino]methyl]-3-methylcyclohexan-1-ol

C17H26FNO2 — CID 65117105

IUPAC1-[[1-(2-fluoro-4-methoxyphenyl)ethylamino]methyl]-3-methylcyclohexan-1-ol
SMILESCOc1ccc(C(C)NCC2(O)CCCC(C)C2)c(F)c1
InChIInChI=1S/C17H26FNO2/c1-12-5-4-8-17(20,10-12)11-19-13(2)15-7-6-14(21-3)9-16(15)18/h6-7,9,12-13,19-20H,4-5,8,10-11H2,1-3H3
InChIKeyBWIJOYCXQJAMGO-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.43
Rot. Bonds5

About 1-[[1-(2-fluoro-4-methoxyphenyl)ethylamino]methyl]-3-methylcyclohexan-1-ol

1-[[1-(2-fluoro-4-methoxyphenyl)ethylamino]methyl]-3-methylcyclohexan-1-ol (PubChem CID 65117105) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-[[1-(2-fluoro-4-methoxyphenyl)ethylamino]methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[1-(2-fluoro-4-methoxyphenyl)ethylamino]methyl]-3-methylcyclohexan-1-ol
PubChem CID65117105
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name1-[[1-(2-fluoro-4-methoxyphenyl)ethylamino]methyl]-3-methylcyclohexan-1-ol
SMILESCOc1ccc(C(C)NCC2(O)CCCC(C)C2)c(F)c1
InChIInChI=1S/C17H26FNO2/c1-12-5-4-8-17(20,10-12)11-19-13(2)15-7-6-14(21-3)9-16(15)18/h6-7,9,12-13,19-20H,4-5,8,10-11H2,1-3H3
InChIKeyBWIJOYCXQJAMGO-UHFFFAOYSA-N
XLogP3.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]phenol
CID 65116717
3-methyl-1-[[1-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 65116779
2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]-4-methylphenol
CID 65117008
2-[1-[(1-hydroxy-4-methylcyclohexyl)methylamino]ethyl]-4-methoxyphenol
CID 65115330
1-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]-3-methylcyclohexan-1-ol
CID 65116917
3-methyl-1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 65116819
2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol
CID 65107155
1-(2-fluoro-4-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
CID 61240870
[(2-fluoro-4-methoxyphenyl)-(1-methoxy-3-methylcyclohexyl)methyl]hydrazine
CID 103397686
(1-ethoxy-3-methylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 103395911
(2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906609
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]cyclopentanamine
CID 43756493

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-fluoro-4-methoxyphenyl)ethylamino]methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[[1-(2-fluoro-4-methoxyphenyl)ethylamino]methyl]-3-methylcyclohexan-1-ol (CID 65117105) is 1-[[1-(2-fluoro-4-methoxyphenyl)ethylamino]methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[1-(2-fluoro-4-methoxyphenyl)ethylamino]methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[1-(2-fluoro-4-methoxyphenyl)ethylamino]methyl]-3-methylcyclohexan-1-ol is COc1ccc(C(C)NCC2(O)CCCC(C)C2)c(F)c1.
What is the InChIKey of 1-[[1-(2-fluoro-4-methoxyphenyl)ethylamino]methyl]-3-methylcyclohexan-1-ol?
The InChIKey is BWIJOYCXQJAMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-12-5-4-8-17(20,10-12)11-19-13(2)15-7-6-14(21-3)9-16(15)18/h6-7,9,12-13,19-20H,4-5,8,10-11H2,1-3H3.
What are the key properties of 1-[[1-(2-fluoro-4-methoxyphenyl)ethylamino]methyl]-3-methylcyclohexan-1-ol?
1-[[1-(2-fluoro-4-methoxyphenyl)ethylamino]methyl]-3-methylcyclohexan-1-ol has a molecular weight of 295.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-fluoro-4-methoxyphenyl)ethylamino]methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 65117105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).