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

C14H17NO2 — CID 54893676

IUPACN-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine
SMILESCOCc1cccc(CNCc2ccco2)c1
InChIInChI=1S/C14H17NO2/c1-16-11-13-5-2-4-12(8-13)9-15-10-14-6-3-7-17-14/h2-8,15H,9-11H2,1H3
InChIKeyLMOYBZFIKTZLFY-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.72
Rot. Bonds6

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

N-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine (PubChem CID 54893676) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine
PubChem CID54893676
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC NameN-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine
SMILESCOCc1cccc(CNCc2ccco2)c1
InChIInChI=1S/C14H17NO2/c1-16-11-13-5-2-4-12(8-13)9-15-10-14-6-3-7-17-14/h2-8,15H,9-11H2,1H3
InChIKeyLMOYBZFIKTZLFY-UHFFFAOYSA-N
XLogP2.72
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-ethylfuran-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 62347076
2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]aniline
CID 66417473
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
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-(2-methylpropoxy)phenyl]methanamine
CID 39360428
N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 61003276
N-(furan-2-ylmethyl)-1-(3-nitrophenyl)methanamine;hydrochloride
CID 17331715
[3-[(furan-2-ylmethylamino)methyl]phenyl] ethanesulfonate
CID 3545443
1-[3-(methoxymethyl)phenyl]-N-(1,2-oxazol-4-ylmethyl)methanamine
CID 54896316
N-(furan-2-ylmethyl)-1-(3-heptoxyphenyl)methanamine
CID 54850246
2-[[3-(methoxymethyl)phenyl]methylamino]ethanol
CID 61004164

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine?
The IUPAC name of N-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine (CID 54893676) is N-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine is COCc1cccc(CNCc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine?
The InChIKey is LMOYBZFIKTZLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-16-11-13-5-2-4-12(8-13)9-15-10-14-6-3-7-17-14/h2-8,15H,9-11H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine?
N-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine has a molecular weight of 231.29 g/mol, XLogP of 2.72, 6 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-(methoxymethyl)phenyl]methanamine is sourced from PubChem (CID 54893676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).