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

C16H21NO2 — CID 119128559

IUPAC2-methyl-1-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-2-ol
SMILESCc1ccc(-c2ccc(CNCC(C)(C)O)o2)cc1
InChIInChI=1S/C16H21NO2/c1-12-4-6-13(7-5-12)15-9-8-14(19-15)10-17-11-16(2,3)18/h4-9,17-18H,10-11H2,1-3H3
InChIKeyLDIKOPGHOHZCSP-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.12
Rot. Bonds5

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

2-methyl-1-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-2-ol (PubChem CID 119128559) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methyl-1-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-2-ol
PubChem CID119128559
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-methyl-1-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-2-ol
SMILESCc1ccc(-c2ccc(CNCC(C)(C)O)o2)cc1
InChIInChI=1S/C16H21NO2/c1-12-4-6-13(7-5-12)15-9-8-14(19-15)10-17-11-16(2,3)18/h4-9,17-18H,10-11H2,1-3H3
InChIKeyLDIKOPGHOHZCSP-UHFFFAOYSA-N
XLogP3.12
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[5-(4-tert-butylphenyl)furan-2-yl]methylamino]-2-hydroxy-2-methylpropanoic acid
CID 122040874
3-[[5-(4-methylphenyl)furan-2-yl]methylamino]propanoic acid
CID 120913183
2-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-1-ol
CID 110905965
5-[[(2-hydroxy-2-methylpropyl)amino]methyl]furan-2-carbonitrile
CID 115653697
1-[4-[5-[[(4-methylphenyl)methylamino]methyl]furan-2-yl]phenyl]ethanol
CID 4725011
1-(4-acetylpiperazin-1-yl)-3-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-1-one
CID 119125549
2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propan-2-ol
CID 63932071
3-[[[5-(4-methylphenyl)furan-2-yl]methylamino]methyl]thiolan-3-ol
CID 111629715
4-methyl-N-[[5-(4-nitrophenyl)furan-2-yl]methyl]aniline
CID 956234
2,2-dimethyl-4-[(5-phenylfuran-2-yl)methylamino]butanoic acid
CID 122126799
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,4-dimethylaniline
CID 91674289
N-[[5-(4-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine
CID 84756405

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-2-ol?
The IUPAC name of 2-methyl-1-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-2-ol (CID 119128559) is 2-methyl-1-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-2-ol is Cc1ccc(-c2ccc(CNCC(C)(C)O)o2)cc1.
What is the InChIKey of 2-methyl-1-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-2-ol?
The InChIKey is LDIKOPGHOHZCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12-4-6-13(7-5-12)15-9-8-14(19-15)10-17-11-16(2,3)18/h4-9,17-18H,10-11H2,1-3H3.
What are the key properties of 2-methyl-1-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-2-ol?
2-methyl-1-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-2-ol has a molecular weight of 259.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-2-ol is sourced from PubChem (CID 119128559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).