N-[furan-2-yl(phenyl)methyl]-2-methoxycyclohexan-1-amine

C18H23NO2 — CID 60781921

IUPACN-[furan-2-yl(phenyl)methyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NC(c1ccccc1)c1ccco1
InChIInChI=1S/C18H23NO2/c1-20-16-11-6-5-10-15(16)19-18(17-12-7-13-21-17)14-8-3-2-4-9-14/h2-4,7-9,12-13,15-16,18-19H,5-6,10-11H2,1H3
InChIKeyPLUXEZOENMTHCL-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.92
Rot. Bonds5

About N-[furan-2-yl(phenyl)methyl]-2-methoxycyclohexan-1-amine

N-[furan-2-yl(phenyl)methyl]-2-methoxycyclohexan-1-amine (PubChem CID 60781921) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[furan-2-yl(phenyl)methyl]-2-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-[furan-2-yl(phenyl)methyl]-2-methoxycyclohexan-1-amine
PubChem CID60781921
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[furan-2-yl(phenyl)methyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NC(c1ccccc1)c1ccco1
InChIInChI=1S/C18H23NO2/c1-20-16-11-6-5-10-15(16)19-18(17-12-7-13-21-17)14-8-3-2-4-9-14/h2-4,7-9,12-13,15-16,18-19H,5-6,10-11H2,1H3
InChIKeyPLUXEZOENMTHCL-UHFFFAOYSA-N
XLogP3.92
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[phenyl(pyridin-2-yl)methyl]cyclopentan-1-amine
CID 62088543
N-[furan-2-yl(phenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752370
N-(2-methoxycyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43768402
N-[furan-2-yl(phenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 119109266
2-methoxy-N-(2-methyl-1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 43786628
N-[furan-2-yl(phenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 104531266
N-[furan-2-yl(phenyl)methyl]-1,2-dimethylpiperidin-4-amine
CID 81296842
2-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81396821
1-cyclobutyl-N-[furan-2-yl(phenyl)methyl]propan-2-amine
CID 115707858
N-[furan-2-yl(phenyl)methyl]-1,5-dimethylpyrrolidin-3-amine
CID 81302357
1-cyclopropyl-N-[furan-2-yl(phenyl)methyl]propan-1-amine
CID 64919705
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 81378180

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(phenyl)methyl]-2-methoxycyclohexan-1-amine?
The IUPAC name of N-[furan-2-yl(phenyl)methyl]-2-methoxycyclohexan-1-amine (CID 60781921) is N-[furan-2-yl(phenyl)methyl]-2-methoxycyclohexan-1-amine.
What is the SMILES notation for N-[furan-2-yl(phenyl)methyl]-2-methoxycyclohexan-1-amine?
The canonical SMILES for N-[furan-2-yl(phenyl)methyl]-2-methoxycyclohexan-1-amine is COC1CCCCC1NC(c1ccccc1)c1ccco1.
What is the InChIKey of N-[furan-2-yl(phenyl)methyl]-2-methoxycyclohexan-1-amine?
The InChIKey is PLUXEZOENMTHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-20-16-11-6-5-10-15(16)19-18(17-12-7-13-21-17)14-8-3-2-4-9-14/h2-4,7-9,12-13,15-16,18-19H,5-6,10-11H2,1H3.
What are the key properties of N-[furan-2-yl(phenyl)methyl]-2-methoxycyclohexan-1-amine?
N-[furan-2-yl(phenyl)methyl]-2-methoxycyclohexan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl(phenyl)methyl]-2-methoxycyclohexan-1-amine is sourced from PubChem (CID 60781921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).