N-[(2-ethylphenyl)methyl]-1-(furan-3-yl)methanamine

C14H17NO — CID 64681981

IUPACN-[(2-ethylphenyl)methyl]-1-(furan-3-yl)methanamine
SMILESCCc1ccccc1CNCc1ccoc1
InChIInChI=1S/C14H17NO/c1-2-13-5-3-4-6-14(13)10-15-9-12-7-8-16-11-12/h3-8,11,15H,2,9-10H2,1H3
InChIKeyYARGYJQSMLJSJB-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.13
Rot. Bonds5

About N-[(2-ethylphenyl)methyl]-1-(furan-3-yl)methanamine

N-[(2-ethylphenyl)methyl]-1-(furan-3-yl)methanamine (PubChem CID 64681981) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-1-(furan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-1-(furan-3-yl)methanamine
PubChem CID64681981
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-[(2-ethylphenyl)methyl]-1-(furan-3-yl)methanamine
SMILESCCc1ccccc1CNCc1ccoc1
InChIInChI=1S/C14H17NO/c1-2-13-5-3-4-6-14(13)10-15-9-12-7-8-16-11-12/h3-8,11,15H,2,9-10H2,1H3
InChIKeyYARGYJQSMLJSJB-UHFFFAOYSA-N
XLogP3.13
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
1-(4-ethylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 64680912
1-(furan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 60980661
N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-3-yl)methanamine
CID 115607181
2-ethyl-N-(furan-3-ylmethyl)-6-methylaniline
CID 63204552
N-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine
CID 60980930
N-(1,3-benzodioxol-4-ylmethyl)-1-(furan-3-yl)methanamine
CID 60980403
N-[(2-fluoro-3-nitrophenyl)methyl]-1-(furan-3-yl)methanamine
CID 107349474
N-[(2-ethylphenyl)methyl]-1-naphthalen-2-ylmethanamine
CID 64680706
1-(furan-3-yl)-N-(quinolin-8-ylmethyl)methanamine
CID 113224554
1-(furan-3-yl)-N-(isoquinolin-5-ylmethyl)methanamine
CID 113381709
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(furan-3-yl)methanamine
CID 115646607

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-1-(furan-3-yl)methanamine?
The IUPAC name of N-[(2-ethylphenyl)methyl]-1-(furan-3-yl)methanamine (CID 64681981) is N-[(2-ethylphenyl)methyl]-1-(furan-3-yl)methanamine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-1-(furan-3-yl)methanamine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-1-(furan-3-yl)methanamine is CCc1ccccc1CNCc1ccoc1.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-1-(furan-3-yl)methanamine?
The InChIKey is YARGYJQSMLJSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-13-5-3-4-6-14(13)10-15-9-12-7-8-16-11-12/h3-8,11,15H,2,9-10H2,1H3.
What are the key properties of N-[(2-ethylphenyl)methyl]-1-(furan-3-yl)methanamine?
N-[(2-ethylphenyl)methyl]-1-(furan-3-yl)methanamine has a molecular weight of 215.30 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-1-(furan-3-yl)methanamine is sourced from PubChem (CID 64681981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).