1-(3-cyclopentyloxyphenyl)-N-(furan-2-ylmethyl)methanamine

C17H21NO2 — CID 39371016

IUPAC1-(3-cyclopentyloxyphenyl)-N-(furan-2-ylmethyl)methanamine
SMILESc1cc(CNCc2ccco2)cc(OC2CCCC2)c1
InChIInChI=1S/C17H21NO2/c1-2-7-15(6-1)20-16-8-3-5-14(11-16)12-18-13-17-9-4-10-19-17/h3-5,8-11,15,18H,1-2,6-7,12-13H2
InChIKeyQXTPIWMDODDJJB-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.89
Rot. Bonds6

About 1-(3-cyclopentyloxyphenyl)-N-(furan-2-ylmethyl)methanamine

1-(3-cyclopentyloxyphenyl)-N-(furan-2-ylmethyl)methanamine (PubChem CID 39371016) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(3-cyclopentyloxyphenyl)-N-(furan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-cyclopentyloxyphenyl)-N-(furan-2-ylmethyl)methanamine
PubChem CID39371016
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-(3-cyclopentyloxyphenyl)-N-(furan-2-ylmethyl)methanamine
SMILESc1cc(CNCc2ccco2)cc(OC2CCCC2)c1
InChIInChI=1S/C17H21NO2/c1-2-7-15(6-1)20-16-8-3-5-14(11-16)12-18-13-17-9-4-10-19-17/h3-5,8-11,15,18H,1-2,6-7,12-13H2
InChIKeyQXTPIWMDODDJJB-UHFFFAOYSA-N
XLogP3.89
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyclohexyloxyphenyl)methyl]-3-(furan-2-yl)propanamide
CID 86941840
3-[(3-cyclohexyloxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 86943873
N-(furan-2-ylmethyl)-1-(3-phenylmethoxyphenyl)methanamine;hydrochloride
CID 2996544
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729
N-(furan-2-ylmethyl)-1-(3-heptoxyphenyl)methanamine
CID 54850246
1-[3-(2,2-difluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine
CID 119123469
N-(furan-2-ylmethyl)-1-[3-(2-methylpropoxy)phenyl]methanamine
CID 39360428
[3-[(furan-2-ylmethylamino)methyl]phenyl] ethanesulfonate
CID 3545443
N-(furan-2-ylmethyl)-1-[3-[(4-methylphenyl)methoxy]phenyl]methanamine
CID 17055149
N-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine
CID 54893676
N-[(3-cyclohexyloxyphenyl)methyl]-2-methylpropan-2-amine
CID 55148555
N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine
CID 114521707

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyloxyphenyl)-N-(furan-2-ylmethyl)methanamine?
The IUPAC name of 1-(3-cyclopentyloxyphenyl)-N-(furan-2-ylmethyl)methanamine (CID 39371016) is 1-(3-cyclopentyloxyphenyl)-N-(furan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-cyclopentyloxyphenyl)-N-(furan-2-ylmethyl)methanamine?
The canonical SMILES for 1-(3-cyclopentyloxyphenyl)-N-(furan-2-ylmethyl)methanamine is c1cc(CNCc2ccco2)cc(OC2CCCC2)c1.
What is the InChIKey of 1-(3-cyclopentyloxyphenyl)-N-(furan-2-ylmethyl)methanamine?
The InChIKey is QXTPIWMDODDJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-7-15(6-1)20-16-8-3-5-14(11-16)12-18-13-17-9-4-10-19-17/h3-5,8-11,15,18H,1-2,6-7,12-13H2.
What are the key properties of 1-(3-cyclopentyloxyphenyl)-N-(furan-2-ylmethyl)methanamine?
1-(3-cyclopentyloxyphenyl)-N-(furan-2-ylmethyl)methanamine has a molecular weight of 271.36 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyloxyphenyl)-N-(furan-2-ylmethyl)methanamine is sourced from PubChem (CID 39371016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).