2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanol

C15H19NO2 — CID 61371435

IUPAC2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanol
SMILESCc1occc1CN(C)CC(O)c1ccccc1
InChIInChI=1S/C15H19NO2/c1-12-14(8-9-18-12)10-16(2)11-15(17)13-6-4-3-5-7-13/h3-9,15,17H,10-11H2,1-2H3
InChIKeySHQBYXGVPQFNLZ-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.75
Rot. Bonds5

About 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanol

2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanol (PubChem CID 61371435) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanol
PubChem CID61371435
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanol
SMILESCc1occc1CN(C)CC(O)c1ccccc1
InChIInChI=1S/C15H19NO2/c1-12-14(8-9-18-12)10-16(2)11-15(17)13-6-4-3-5-7-13/h3-9,15,17H,10-11H2,1-2H3
InChIKeySHQBYXGVPQFNLZ-UHFFFAOYSA-N
XLogP2.75
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-hydroxy-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]benzenecarbothioamide
CID 61426534
1-(2,6-difluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol
CID 110903423
2-[furan-2-ylmethyl(methyl)amino]-1-phenylethanol
CID 3412322
1-(4-fluoro-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol
CID 111564990
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-phenylacetic acid
CID 61426935
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanone
CID 62036219
(2R)-2-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-phenylacetamide
CID 61426697
1-[methyl-[(2-methylfuran-3-yl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol
CID 113317475
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
(1R)-2-[(2,4-dichlorophenyl)methyl-methylamino]-1-phenylethanol
CID 30980110
(1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol
CID 40768444
1-N,4-dimethyl-1-N-[(2-methylfuran-3-yl)methyl]pentane-1,2-diamine
CID 61424459

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanol?
The IUPAC name of 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanol (CID 61371435) is 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanol.
What is the SMILES notation for 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanol?
The canonical SMILES for 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanol is Cc1occc1CN(C)CC(O)c1ccccc1.
What is the InChIKey of 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanol?
The InChIKey is SHQBYXGVPQFNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-12-14(8-9-18-12)10-16(2)11-15(17)13-6-4-3-5-7-13/h3-9,15,17H,10-11H2,1-2H3.
What are the key properties of 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanol?
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanol has a molecular weight of 245.32 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanol is sourced from PubChem (CID 61371435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).