2-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-1-ol

C16H21NO2 — CID 110905965

IUPAC2-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-1-ol
SMILESCc1ccc(-c2ccc(CNCC(C)CO)o2)cc1
InChIInChI=1S/C16H21NO2/c1-12-3-5-14(6-4-12)16-8-7-15(19-16)10-17-9-13(2)11-18/h3-8,13,17-18H,9-11H2,1-2H3
InChIKeyOPFYEURWJRVCFI-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.97
Rot. Bonds6

About 2-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-1-ol

2-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-1-ol (PubChem CID 110905965) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-1-ol
PubChem CID110905965
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-1-ol
SMILESCc1ccc(-c2ccc(CNCC(C)CO)o2)cc1
InChIInChI=1S/C16H21NO2/c1-12-3-5-14(6-4-12)16-8-7-15(19-16)10-17-9-13(2)11-18/h3-8,13,17-18H,9-11H2,1-2H3
InChIKeyOPFYEURWJRVCFI-UHFFFAOYSA-N
XLogP2.97
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylpiperazin-1-yl)-2-methyl-N-[[5-(4-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 119122326
1-[4-[5-[[(4-methylphenyl)methylamino]methyl]furan-2-yl]phenyl]ethanol
CID 4725011
2-methyl-1-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-2-ol
CID 119128559
methyl 4-[5-[[[(2S)-2-hydroxypropyl]amino]methyl]furan-2-yl]benzoate
CID 8636670
3-[[5-(4-methylphenyl)furan-2-yl]methylamino]propanoic acid
CID 120913183
(2R)-1-[2-[(5-phenylfuran-2-yl)methylamino]ethylamino]propan-2-ol
CID 8622014
1-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]propan-2-ol
CID 4723653
N-[[5-(4-bromo-3-methylphenyl)furan-2-yl]methyl]-2-methylpropan-1-amine
CID 17056318
N-[[5-(4-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine
CID 84756405
3-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-2-methylpropanenitrile
CID 62648146
(2S)-4-methyl-2-[[5-(4-methylphenyl)furan-2-yl]methylamino]pentanoic acid
CID 120510873
(2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-3-methylbutan-1-ol
CID 79253494

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-1-ol?
The IUPAC name of 2-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-1-ol (CID 110905965) is 2-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-1-ol?
The canonical SMILES for 2-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-1-ol is Cc1ccc(-c2ccc(CNCC(C)CO)o2)cc1.
What is the InChIKey of 2-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-1-ol?
The InChIKey is OPFYEURWJRVCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12-3-5-14(6-4-12)16-8-7-15(19-16)10-17-9-13(2)11-18/h3-8,13,17-18H,9-11H2,1-2H3.
What are the key properties of 2-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-1-ol?
2-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-1-ol is sourced from PubChem (CID 110905965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).