N-(furan-3-ylmethyl)-1-(4-methoxyphenyl)propan-2-amine

C15H19NO2 — CID 115711421

IUPACN-(furan-3-ylmethyl)-1-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(C)NCc2ccoc2)cc1
InChIInChI=1S/C15H19NO2/c1-12(16-10-14-7-8-18-11-14)9-13-3-5-15(17-2)6-4-13/h3-8,11-12,16H,9-10H2,1-2H3
InChIKeyLBSARJICWANPLI-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.01
Rot. Bonds6

About N-(furan-3-ylmethyl)-1-(4-methoxyphenyl)propan-2-amine

N-(furan-3-ylmethyl)-1-(4-methoxyphenyl)propan-2-amine (PubChem CID 115711421) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-1-(4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-1-(4-methoxyphenyl)propan-2-amine
PubChem CID115711421
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-(furan-3-ylmethyl)-1-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(C)NCc2ccoc2)cc1
InChIInChI=1S/C15H19NO2/c1-12(16-10-14-7-8-18-11-14)9-13-3-5-15(17-2)6-4-13/h3-8,11-12,16H,9-10H2,1-2H3
InChIKeyLBSARJICWANPLI-UHFFFAOYSA-N
XLogP3.01
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
CID 107230230
[1-(furan-3-yl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine
CID 105205423
N-[(2S)-1-(furan-3-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 99873213
(2S)-2-(furan-3-ylmethylamino)propan-1-ol
CID 103773853
N-[(2S)-1-(furan-3-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 97030226
(2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine
CID 7443154
[3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
CID 103781729
N-(furan-3-ylmethyl)-5-methylhexan-2-amine
CID 62997685
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
1-ethoxy-N-(furan-3-ylmethyl)propan-2-amine
CID 63204415
1-(2,6-difluorophenyl)-N-(furan-3-ylmethyl)propan-2-amine
CID 63000728

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-1-(4-methoxyphenyl)propan-2-amine?
The IUPAC name of N-(furan-3-ylmethyl)-1-(4-methoxyphenyl)propan-2-amine (CID 115711421) is N-(furan-3-ylmethyl)-1-(4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-1-(4-methoxyphenyl)propan-2-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-1-(4-methoxyphenyl)propan-2-amine is COc1ccc(CC(C)NCc2ccoc2)cc1.
What is the InChIKey of N-(furan-3-ylmethyl)-1-(4-methoxyphenyl)propan-2-amine?
The InChIKey is LBSARJICWANPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-12(16-10-14-7-8-18-11-14)9-13-3-5-15(17-2)6-4-13/h3-8,11-12,16H,9-10H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-1-(4-methoxyphenyl)propan-2-amine?
N-(furan-3-ylmethyl)-1-(4-methoxyphenyl)propan-2-amine has a molecular weight of 245.32 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-1-(4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 115711421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).