N-(furan-3-ylmethyl)-1-phenylethanamine

C13H15NO — CID 42773967

IUPACN-(furan-3-ylmethyl)-1-phenylethanamine
SMILESCC(NCc1ccoc1)c1ccccc1
InChIInChI=1S/C13H15NO/c1-11(13-5-3-2-4-6-13)14-9-12-7-8-15-10-12/h2-8,10-11,14H,9H2,1H3
InChIKeyZHJBUKGNKAMSAE-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.13
Rot. Bonds4

About N-(furan-3-ylmethyl)-1-phenylethanamine

N-(furan-3-ylmethyl)-1-phenylethanamine (PubChem CID 42773967) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-1-phenylethanamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-1-phenylethanamine
PubChem CID42773967
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC NameN-(furan-3-ylmethyl)-1-phenylethanamine
SMILESCC(NCc1ccoc1)c1ccccc1
InChIInChI=1S/C13H15NO/c1-11(13-5-3-2-4-6-13)14-9-12-7-8-15-10-12/h2-8,10-11,14H,9H2,1H3
InChIKeyZHJBUKGNKAMSAE-UHFFFAOYSA-N
XLogP3.13
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-N-(furan-3-ylmethyl)ethanamine
CID 55180294
(1R)-1-(2-fluorophenyl)-N-(furan-3-ylmethyl)ethanamine
CID 81379853
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
N-(furan-3-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 63001796
2-(furan-3-ylmethylamino)-2-phenylacetic acid
CID 63204557
N-(furan-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 115607208
3,3,3-trifluoro-N-(furan-3-ylmethyl)-1-phenylpropan-1-amine
CID 115607292
N-(furan-3-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 62999731
3-(furan-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 81024001
(2S)-2-(furan-3-ylmethylamino)propan-1-ol
CID 103773853
N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine
CID 966918

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-1-phenylethanamine?
The IUPAC name of N-(furan-3-ylmethyl)-1-phenylethanamine (CID 42773967) is N-(furan-3-ylmethyl)-1-phenylethanamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-1-phenylethanamine?
The canonical SMILES for N-(furan-3-ylmethyl)-1-phenylethanamine is CC(NCc1ccoc1)c1ccccc1.
What is the InChIKey of N-(furan-3-ylmethyl)-1-phenylethanamine?
The InChIKey is ZHJBUKGNKAMSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-11(13-5-3-2-4-6-13)14-9-12-7-8-15-10-12/h2-8,10-11,14H,9H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-1-phenylethanamine?
N-(furan-3-ylmethyl)-1-phenylethanamine has a molecular weight of 201.27 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-1-phenylethanamine is sourced from PubChem (CID 42773967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).