(7-fluoro-1-benzofuran-2-yl)-(1-methoxy-3-methylcyclohexyl)methanamine

C17H22FNO2 — CID 114731470

IUPAC(7-fluoro-1-benzofuran-2-yl)-(1-methoxy-3-methylcyclohexyl)methanamine
SMILESCOC1(C(N)c2cc3cccc(F)c3o2)CCCC(C)C1
InChIInChI=1S/C17H22FNO2/c1-11-5-4-8-17(10-11,20-2)16(19)14-9-12-6-3-7-13(18)15(12)21-14/h3,6-7,9,11,16H,4-5,8,10,19H2,1-2H3
InChIKeyWFGKRBMEVNLRJD-UHFFFAOYSA-N
MW291.37 g/mol
LogP4.17
Rot. Bonds3

About (7-fluoro-1-benzofuran-2-yl)-(1-methoxy-3-methylcyclohexyl)methanamine

(7-fluoro-1-benzofuran-2-yl)-(1-methoxy-3-methylcyclohexyl)methanamine (PubChem CID 114731470) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is (7-fluoro-1-benzofuran-2-yl)-(1-methoxy-3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(7-fluoro-1-benzofuran-2-yl)-(1-methoxy-3-methylcyclohexyl)methanamine
PubChem CID114731470
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Name(7-fluoro-1-benzofuran-2-yl)-(1-methoxy-3-methylcyclohexyl)methanamine
SMILESCOC1(C(N)c2cc3cccc(F)c3o2)CCCC(C)C1
InChIInChI=1S/C17H22FNO2/c1-11-5-4-8-17(10-11,20-2)16(19)14-9-12-6-3-7-13(18)15(12)21-14/h3,6-7,9,11,16H,4-5,8,10,19H2,1-2H3
InChIKeyWFGKRBMEVNLRJD-UHFFFAOYSA-N
XLogP4.17
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047532
(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol
CID 114724076
(3,4-dichlorophenyl)-(1-methoxy-3-methylcyclohexyl)methanamine
CID 116767627
(3-chloro-4-methylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine
CID 107560765
(1-methoxy-3-methylcyclohexyl)-naphthalen-1-ylmethanol
CID 116755079
N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]ethanamine
CID 114728259
(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 105130101
(2,2-dimethylcyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 107192972
(2,4-difluorophenyl)-(1-methoxy-3-methylcyclohexyl)methanol
CID 116754991
(4-methoxy-2,5-dimethylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine
CID 116767593
[(2-fluoro-5-methylphenyl)-(1-methoxy-3-methylcyclohexyl)methyl]hydrazine
CID 105277451
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 105374421

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(1-methoxy-3-methylcyclohexyl)methanamine?
The IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(1-methoxy-3-methylcyclohexyl)methanamine (CID 114731470) is (7-fluoro-1-benzofuran-2-yl)-(1-methoxy-3-methylcyclohexyl)methanamine.
What is the SMILES notation for (7-fluoro-1-benzofuran-2-yl)-(1-methoxy-3-methylcyclohexyl)methanamine?
The canonical SMILES for (7-fluoro-1-benzofuran-2-yl)-(1-methoxy-3-methylcyclohexyl)methanamine is COC1(C(N)c2cc3cccc(F)c3o2)CCCC(C)C1.
What is the InChIKey of (7-fluoro-1-benzofuran-2-yl)-(1-methoxy-3-methylcyclohexyl)methanamine?
The InChIKey is WFGKRBMEVNLRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-11-5-4-8-17(10-11,20-2)16(19)14-9-12-6-3-7-13(18)15(12)21-14/h3,6-7,9,11,16H,4-5,8,10,19H2,1-2H3.
What are the key properties of (7-fluoro-1-benzofuran-2-yl)-(1-methoxy-3-methylcyclohexyl)methanamine?
(7-fluoro-1-benzofuran-2-yl)-(1-methoxy-3-methylcyclohexyl)methanamine has a molecular weight of 291.37 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1-benzofuran-2-yl)-(1-methoxy-3-methylcyclohexyl)methanamine is sourced from PubChem (CID 114731470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).