1-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol

C18H25NO3 — CID 111468379

IUPAC1-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
SMILESCOc1c(C)cc(CNCC(C)(O)c2ccc(C)o2)cc1C
InChIInChI=1S/C18H25NO3/c1-12-8-15(9-13(2)17(12)21-5)10-19-11-18(4,20)16-7-6-14(3)22-16/h6-9,19-20H,10-11H2,1-5H3
InChIKeyUTFJOOMTQWDWCA-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.21
Rot. Bonds6

About 1-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol

1-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol (PubChem CID 111468379) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
PubChem CID111468379
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name1-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
SMILESCOc1c(C)cc(CNCC(C)(O)c2ccc(C)o2)cc1C
InChIInChI=1S/C18H25NO3/c1-12-8-15(9-13(2)17(12)21-5)10-19-11-18(4,20)16-7-6-14(3)22-16/h6-9,19-20H,10-11H2,1-5H3
InChIKeyUTFJOOMTQWDWCA-UHFFFAOYSA-N
XLogP3.21
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,5-difluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 109482142
1-[(4-methoxy-3-methylsulfanylphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468543
1-[(4-fluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468365
1-[(2-methoxyphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468456
2-(5-methylfuran-2-yl)-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 111468367
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468364
1-[(4-but-3-ynoxyphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468426
2-(5-methylfuran-2-yl)-1-[(5-nitrothiophen-3-yl)methylamino]propan-2-ol
CID 111468398
1-[(2-bromophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468482
1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylamino]-2-(furan-2-yl)propan-2-ol
CID 111468736
1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468429
1-ethyl-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111663447

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol?
The IUPAC name of 1-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol (CID 111468379) is 1-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol.
What is the SMILES notation for 1-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol?
The canonical SMILES for 1-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol is COc1c(C)cc(CNCC(C)(O)c2ccc(C)o2)cc1C.
What is the InChIKey of 1-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol?
The InChIKey is UTFJOOMTQWDWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-12-8-15(9-13(2)17(12)21-5)10-19-11-18(4,20)16-7-6-14(3)22-16/h6-9,19-20H,10-11H2,1-5H3.
What are the key properties of 1-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol?
1-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol has a molecular weight of 303.40 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol is sourced from PubChem (CID 111468379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).