N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine

C14H17NO — CID 115651338

IUPACN-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine
SMILESCc1ccoc1CNC(C)c1ccccc1
InChIInChI=1S/C14H17NO/c1-11-8-9-16-14(11)10-15-12(2)13-6-4-3-5-7-13/h3-9,12,15H,10H2,1-2H3
InChIKeyMDTRGHHHSILACI-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.44
Rot. Bonds4

About N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine

N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine (PubChem CID 115651338) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine
PubChem CID115651338
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine
SMILESCc1ccoc1CNC(C)c1ccccc1
InChIInChI=1S/C14H17NO/c1-11-8-9-16-14(11)10-15-12(2)13-6-4-3-5-7-13/h3-9,12,15H,10H2,1-2H3
InChIKeyMDTRGHHHSILACI-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

(1R)-N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine
CID 114986470
(1S)-N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 113488659
(1R)-1-(4-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]ethanamine
CID 114985843
N-[(3-methylfuran-2-yl)methyl]-1-phenylbutan-1-amine
CID 115651539
1-(2-methoxyphenyl)-N-[(3-methylfuran-2-yl)methyl]ethanamine
CID 115651493
N-[(3-methylfuran-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 113242970
2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
CID 60985208
N-[(3-methylfuran-2-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 115651754
(1R)-N-[(3-bromofuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 106885424
1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine
CID 78022429
(2R)-1-[(3-methylfuran-2-yl)methylamino]propan-2-ol
CID 103884242
N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine
CID 4715520

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine?
The IUPAC name of N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine (CID 115651338) is N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine.
What is the SMILES notation for N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine?
The canonical SMILES for N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine is Cc1ccoc1CNC(C)c1ccccc1.
What is the InChIKey of N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine?
The InChIKey is MDTRGHHHSILACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-11-8-9-16-14(11)10-15-12(2)13-6-4-3-5-7-13/h3-9,12,15H,10H2,1-2H3.
What are the key properties of N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine?
N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine 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 N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine is sourced from PubChem (CID 115651338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).