1-(furan-2-yl)-N-[(3-methylphenyl)methyl]ethanamine

C14H17NO — CID 43181990

IUPAC1-(furan-2-yl)-N-[(3-methylphenyl)methyl]ethanamine
SMILESCc1cccc(CNC(C)c2ccco2)c1
InChIInChI=1S/C14H17NO/c1-11-5-3-6-13(9-11)10-15-12(2)14-7-4-8-16-14/h3-9,12,15H,10H2,1-2H3
InChIKeyKFHDQUJRTOYSFC-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.44
Rot. Bonds4

About 1-(furan-2-yl)-N-[(3-methylphenyl)methyl]ethanamine

1-(furan-2-yl)-N-[(3-methylphenyl)methyl]ethanamine (PubChem CID 43181990) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[(3-methylphenyl)methyl]ethanamine
PubChem CID43181990
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(furan-2-yl)-N-[(3-methylphenyl)methyl]ethanamine
SMILESCc1cccc(CNC(C)c2ccco2)c1
InChIInChI=1S/C14H17NO/c1-11-5-3-6-13(9-11)10-15-12(2)14-7-4-8-16-14/h3-9,12,15H,10H2,1-2H3
InChIKeyKFHDQUJRTOYSFC-UHFFFAOYSA-N
XLogP3.44
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[[1-(furan-2-yl)ethylamino]methyl]phenyl]methanol
CID 103781809
(1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81402590
3-[[1-(furan-2-yl)ethylamino]methyl]benzonitrile
CID 43401833
(1S)-N-[(3-ethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402683
(1S)-N-[(3-chloro-4-methylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 106816999
N-[(3,4-dibromophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 115692983
N-[(2,5-dimethylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 60664695
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403339
(1R)-1-(furan-2-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81403687
(1S)-1-(furan-2-yl)-N-[(2-methylquinolin-6-yl)methyl]ethanamine
CID 105378594
N-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 43178684
(1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-yl)ethanamine
CID 28643569

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[(3-methylphenyl)methyl]ethanamine?
The IUPAC name of 1-(furan-2-yl)-N-[(3-methylphenyl)methyl]ethanamine (CID 43181990) is 1-(furan-2-yl)-N-[(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[(3-methylphenyl)methyl]ethanamine is Cc1cccc(CNC(C)c2ccco2)c1.
What is the InChIKey of 1-(furan-2-yl)-N-[(3-methylphenyl)methyl]ethanamine?
The InChIKey is KFHDQUJRTOYSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-11-5-3-6-13(9-11)10-15-12(2)14-7-4-8-16-14/h3-9,12,15H,10H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-[(3-methylphenyl)methyl]ethanamine?
1-(furan-2-yl)-N-[(3-methylphenyl)methyl]ethanamine has a molecular weight of 215.30 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 43181990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).