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

C16H21NO — CID 115651539

IUPACN-[(3-methylfuran-2-yl)methyl]-1-phenylbutan-1-amine
SMILESCCCC(NCc1occc1C)c1ccccc1
InChIInChI=1S/C16H21NO/c1-3-7-15(14-8-5-4-6-9-14)17-12-16-13(2)10-11-18-16/h4-6,8-11,15,17H,3,7,12H2,1-2H3
InChIKeyOEXFMURKGPCLNG-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.22
Rot. Bonds6

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

N-[(3-methylfuran-2-yl)methyl]-1-phenylbutan-1-amine (PubChem CID 115651539) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(3-methylfuran-2-yl)methyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(3-methylfuran-2-yl)methyl]-1-phenylbutan-1-amine
PubChem CID115651539
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-[(3-methylfuran-2-yl)methyl]-1-phenylbutan-1-amine
SMILESCCCC(NCc1occc1C)c1ccccc1
InChIInChI=1S/C16H21NO/c1-3-7-15(14-8-5-4-6-9-14)17-12-16-13(2)10-11-18-16/h4-6,8-11,15,17H,3,7,12H2,1-2H3
InChIKeyOEXFMURKGPCLNG-UHFFFAOYSA-N
XLogP4.22
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine
CID 115651338
N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 115651392
methyl 3-[(1-phenylbutylamino)methyl]furan-2-carboxylate
CID 43234815
1-phenyl-N-prop-2-enylbutan-1-amine
CID 43177099
N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine
CID 17156263
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754
1-phenyl-N-(pyridin-4-ylmethyl)butan-1-amine;hydrochloride
CID 17155648
1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine
CID 17156015
N-(2-bromoprop-2-enyl)-1-phenylbutan-1-amine
CID 115717128
N-[(3-methylfuran-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 113242970
2-[(3-methylfuran-2-yl)methylamino]propan-1-ol
CID 115656397
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-phenylbutan-1-amine
CID 17156616

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylfuran-2-yl)methyl]-1-phenylbutan-1-amine?
The IUPAC name of N-[(3-methylfuran-2-yl)methyl]-1-phenylbutan-1-amine (CID 115651539) is N-[(3-methylfuran-2-yl)methyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[(3-methylfuran-2-yl)methyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-[(3-methylfuran-2-yl)methyl]-1-phenylbutan-1-amine is CCCC(NCc1occc1C)c1ccccc1.
What is the InChIKey of N-[(3-methylfuran-2-yl)methyl]-1-phenylbutan-1-amine?
The InChIKey is OEXFMURKGPCLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-7-15(14-8-5-4-6-9-14)17-12-16-13(2)10-11-18-16/h4-6,8-11,15,17H,3,7,12H2,1-2H3.
What are the key properties of N-[(3-methylfuran-2-yl)methyl]-1-phenylbutan-1-amine?
N-[(3-methylfuran-2-yl)methyl]-1-phenylbutan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 4.22, 6 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-phenylbutan-1-amine is sourced from PubChem (CID 115651539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).