N-(furan-2-ylmethyl)-1-[3-(2-methylpropoxy)phenyl]methanamine

C16H21NO2 — CID 39360428

IUPACN-(furan-2-ylmethyl)-1-[3-(2-methylpropoxy)phenyl]methanamine
SMILESCC(C)COc1cccc(CNCc2ccco2)c1
InChIInChI=1S/C16H21NO2/c1-13(2)12-19-15-6-3-5-14(9-15)10-17-11-16-7-4-8-18-16/h3-9,13,17H,10-12H2,1-2H3
InChIKeyLJXAZZUWJPDNDG-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.60
Rot. Bonds7

About N-(furan-2-ylmethyl)-1-[3-(2-methylpropoxy)phenyl]methanamine

N-(furan-2-ylmethyl)-1-[3-(2-methylpropoxy)phenyl]methanamine (PubChem CID 39360428) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[3-(2-methylpropoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[3-(2-methylpropoxy)phenyl]methanamine
PubChem CID39360428
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-(furan-2-ylmethyl)-1-[3-(2-methylpropoxy)phenyl]methanamine
SMILESCC(C)COc1cccc(CNCc2ccco2)c1
InChIInChI=1S/C16H21NO2/c1-13(2)12-19-15-6-3-5-14(9-15)10-17-11-16-7-4-8-18-16/h3-9,13,17H,10-12H2,1-2H3
InChIKeyLJXAZZUWJPDNDG-UHFFFAOYSA-N
XLogP3.60
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,2-difluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine
CID 119123469
1-(furan-2-ylmethyl)-2-methyl-3-[[3-(2-methylpropoxy)phenyl]methyl]guanidine
CID 110934615
N-(furan-2-ylmethyl)-1-(3-phenylmethoxyphenyl)methanamine;hydrochloride
CID 2996544
N-(furan-2-ylmethyl)-1-[3-[(4-methylphenyl)methoxy]phenyl]methanamine
CID 17055149
N-(furan-2-ylmethyl)-1-(3-heptoxyphenyl)methanamine
CID 54850246
2-(furan-2-ylmethylamino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54818949
1-[3-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 54798947
[3-[(furan-2-ylmethylamino)methyl]phenyl] ethanesulfonate
CID 3545443
N-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine
CID 54893676
N-[[3-(2-methylpropoxy)phenyl]methyl]butan-1-amine
CID 54797369
1-(3-cyclopentyloxyphenyl)-N-(furan-2-ylmethyl)methanamine
CID 39371016
1-[3-(furan-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride
CID 67855263

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[3-(2-methylpropoxy)phenyl]methanamine?
The IUPAC name of N-(furan-2-ylmethyl)-1-[3-(2-methylpropoxy)phenyl]methanamine (CID 39360428) is N-(furan-2-ylmethyl)-1-[3-(2-methylpropoxy)phenyl]methanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[3-(2-methylpropoxy)phenyl]methanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[3-(2-methylpropoxy)phenyl]methanamine is CC(C)COc1cccc(CNCc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[3-(2-methylpropoxy)phenyl]methanamine?
The InChIKey is LJXAZZUWJPDNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-13(2)12-19-15-6-3-5-14(9-15)10-17-11-16-7-4-8-18-16/h3-9,13,17H,10-12H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-1-[3-(2-methylpropoxy)phenyl]methanamine?
N-(furan-2-ylmethyl)-1-[3-(2-methylpropoxy)phenyl]methanamine has a molecular weight of 259.35 g/mol, XLogP of 3.60, 7 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-(2-methylpropoxy)phenyl]methanamine is sourced from PubChem (CID 39360428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).