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

C19H27NO2 — CID 54850246

IUPACN-(furan-2-ylmethyl)-1-(3-heptoxyphenyl)methanamine
SMILESCCCCCCCOc1cccc(CNCc2ccco2)c1
InChIInChI=1S/C19H27NO2/c1-2-3-4-5-6-12-21-18-10-7-9-17(14-18)15-20-16-19-11-8-13-22-19/h7-11,13-14,20H,2-6,12,15-16H2,1H3
InChIKeyVXPFHHUWJZTAGU-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.92
Rot. Bonds11

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

N-(furan-2-ylmethyl)-1-(3-heptoxyphenyl)methanamine (PubChem CID 54850246) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(3-heptoxyphenyl)methanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(3-heptoxyphenyl)methanamine
PubChem CID54850246
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC NameN-(furan-2-ylmethyl)-1-(3-heptoxyphenyl)methanamine
SMILESCCCCCCCOc1cccc(CNCc2ccco2)c1
InChIInChI=1S/C19H27NO2/c1-2-3-4-5-6-12-21-18-10-7-9-17(14-18)15-20-16-19-11-8-13-22-19/h7-11,13-14,20H,2-6,12,15-16H2,1H3
InChIKeyVXPFHHUWJZTAGU-UHFFFAOYSA-N
XLogP4.92
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-pentoxyphenyl)methyl]hexadecan-1-amine
CID 54847860
N-(furan-2-ylmethyl)-1-[3-(2-methylpropoxy)phenyl]methanamine
CID 39360428
N-(furan-2-ylmethyl)-1-(3-phenylmethoxyphenyl)methanamine;hydrochloride
CID 2996544
N-(furan-2-ylmethyl)-1-[3-[(4-methylphenyl)methoxy]phenyl]methanamine
CID 17055149
1-[3-(2,2-difluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine
CID 119123469
1-(4-fluorophenyl)-N-[(3-pentoxyphenyl)methyl]methanamine
CID 54803922
[3-[(furan-2-ylmethylamino)methyl]phenyl] ethanesulfonate
CID 3545443
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
N-[(3-heptoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54848590
1-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 54804115
1-(3-cyclopentyloxyphenyl)-N-(furan-2-ylmethyl)methanamine
CID 39371016
N-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine
CID 54893676

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(3-heptoxyphenyl)methanamine?
The IUPAC name of N-(furan-2-ylmethyl)-1-(3-heptoxyphenyl)methanamine (CID 54850246) is N-(furan-2-ylmethyl)-1-(3-heptoxyphenyl)methanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(3-heptoxyphenyl)methanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(3-heptoxyphenyl)methanamine is CCCCCCCOc1cccc(CNCc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(3-heptoxyphenyl)methanamine?
The InChIKey is VXPFHHUWJZTAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-2-3-4-5-6-12-21-18-10-7-9-17(14-18)15-20-16-19-11-8-13-22-19/h7-11,13-14,20H,2-6,12,15-16H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-1-(3-heptoxyphenyl)methanamine?
N-(furan-2-ylmethyl)-1-(3-heptoxyphenyl)methanamine has a molecular weight of 301.43 g/mol, XLogP of 4.92, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(3-heptoxyphenyl)methanamine is sourced from PubChem (CID 54850246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).