[5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-yl]methanol

C15H19NO2 — CID 81364609

IUPAC[5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-yl]methanol
SMILESCc1cccc([C@H](C)NCc2ccc(CO)o2)c1
InChIInChI=1S/C15H19NO2/c1-11-4-3-5-13(8-11)12(2)16-9-14-6-7-15(10-17)18-14/h3-8,12,16-17H,9-10H2,1-2H3/t12-/m0/s1
InChIKeyFTPYTPPPSKLRHX-LBPRGKRZSA-N
MW245.32 g/mol
LogP2.93
Rot. Bonds5

About [5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-yl]methanol

[5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-yl]methanol (PubChem CID 81364609) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is [5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-yl]methanol
PubChem CID81364609
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name[5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-yl]methanol
SMILESCc1cccc([C@H](C)NCc2ccc(CO)o2)c1
InChIInChI=1S/C15H19NO2/c1-11-4-3-5-13(8-11)12(2)16-9-14-6-7-15(10-17)18-14/h3-8,12,16-17H,9-10H2,1-2H3/t12-/m0/s1
InChIKeyFTPYTPPPSKLRHX-LBPRGKRZSA-N
XLogP2.93
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(3-methylphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 81364045
N-[(5-methylfuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 55081693
[5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]methanol
CID 79032632
N-methyl-5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-sulfonamide
CID 81369614
[5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]furan-2-yl]methanol
CID 64579003
[5-[[1-(furan-3-yl)ethylamino]methyl]furan-2-yl]methanol
CID 115711896
(1R)-1-(3-bromophenyl)-N-[(5-ethylfuran-2-yl)methyl]ethanamine
CID 81372648
1-(3-bromophenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 43779085
4-methyl-2-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81360761
(2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol
CID 93288092
(1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81363211
(1R)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364360

Frequently Asked Questions

What is the IUPAC name of [5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-yl]methanol (CID 81364609) is [5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-yl]methanol is Cc1cccc([C@H](C)NCc2ccc(CO)o2)c1.
What is the InChIKey of [5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-yl]methanol?
The InChIKey is FTPYTPPPSKLRHX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11-4-3-5-13(8-11)12(2)16-9-14-6-7-15(10-17)18-14/h3-8,12,16-17H,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of [5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-yl]methanol?
[5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-yl]methanol has a molecular weight of 245.32 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 81364609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).