1-(1-methoxycyclohexyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine

C18H25NO2 — CID 114731419

IUPAC1-(1-methoxycyclohexyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCNC(c1cc2cc(C)ccc2o1)C1(OC)CCCCC1
InChIInChI=1S/C18H25NO2/c1-13-7-8-15-14(11-13)12-16(21-15)17(19-2)18(20-3)9-5-4-6-10-18/h7-8,11-12,17,19H,4-6,9-10H2,1-3H3
InChIKeyFSZCFDDQMXOSDL-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.35
Rot. Bonds4

About 1-(1-methoxycyclohexyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine

1-(1-methoxycyclohexyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 114731419) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-(1-methoxycyclohexyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name1-(1-methoxycyclohexyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
PubChem CID114731419
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-(1-methoxycyclohexyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCNC(c1cc2cc(C)ccc2o1)C1(OC)CCCCC1
InChIInChI=1S/C18H25NO2/c1-13-7-8-15-14(11-13)12-16(21-15)17(19-2)18(20-3)9-5-4-6-10-18/h7-8,11-12,17,19H,4-6,9-10H2,1-3H3
InChIKeyFSZCFDDQMXOSDL-UHFFFAOYSA-N
XLogP4.35
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
CID 114731441
(4-methoxyoxan-4-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114731435
N-[(5-fluoro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 114730943
N-[1-benzofuran-2-yl-(1-methoxycyclohexyl)methyl]ethanamine
CID 114731424
[(1-ethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105338290
N,5-dimethyl-1-benzofuran-2-amine
CID 123740126
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105046277
1-(1-methoxycycloheptyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 116770175
[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]hydrazine
CID 105268611
[(3,5-dimethylphenyl)-(1-methoxycyclopentyl)methyl]hydrazine
CID 105268838
1-(1-methoxycyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116762847
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 114730060

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclohexyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of 1-(1-methoxycyclohexyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine (CID 114731419) is 1-(1-methoxycyclohexyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for 1-(1-methoxycyclohexyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for 1-(1-methoxycyclohexyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine is CNC(c1cc2cc(C)ccc2o1)C1(OC)CCCCC1.
What is the InChIKey of 1-(1-methoxycyclohexyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is FSZCFDDQMXOSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13-7-8-15-14(11-13)12-16(21-15)17(19-2)18(20-3)9-5-4-6-10-18/h7-8,11-12,17,19H,4-6,9-10H2,1-3H3.
What are the key properties of 1-(1-methoxycyclohexyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine?
1-(1-methoxycyclohexyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 287.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclohexyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 114731419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).