4,4-dimethyl-1-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-2-ol

C17H25NO2 — CID 103859112

IUPAC4,4-dimethyl-1-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-2-ol
SMILESCc1oc2ccccc2c1CNCC(O)CC(C)(C)C
InChIInChI=1S/C17H25NO2/c1-12-15(14-7-5-6-8-16(14)20-12)11-18-10-13(19)9-17(2,3)4/h5-8,13,18-19H,9-11H2,1-4H3
InChIKeyKSECWVPSIFVVKY-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.63
Rot. Bonds5

About 4,4-dimethyl-1-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-2-ol

4,4-dimethyl-1-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-2-ol (PubChem CID 103859112) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-2-ol
PubChem CID103859112
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4,4-dimethyl-1-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-2-ol
SMILESCc1oc2ccccc2c1CNCC(O)CC(C)(C)C
InChIInChI=1S/C17H25NO2/c1-12-15(14-7-5-6-8-16(14)20-12)11-18-10-13(19)9-17(2,3)4/h5-8,13,18-19H,9-11H2,1-4H3
InChIKeyKSECWVPSIFVVKY-UHFFFAOYSA-N
XLogP3.63
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethyl-1-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-2-ol with MolForge

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Related Compounds

4-methyl-2-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]pentanoic acid
CID 122073193
2,2-difluoro-3-[(2-methyl-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 113462728
4,4-dimethyl-5-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-1-ol
CID 103897611
[4-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]phenyl]methanol
CID 107230098
6-[(2-methyl-1-benzofuran-3-yl)methylamino]hexan-1-ol
CID 103924069
3-methyl-3-[(2-methyl-1-benzofuran-3-yl)methylamino]butan-1-ol
CID 115907355
N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115774534
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-2-ol
CID 103699609
1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol
CID 43226104
3-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]benzoic acid
CID 167810781
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine
CID 103859199
2,2-dimethyl-3-(2-methyl-1-benzofuran-3-yl)propanoic acid
CID 116987382

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-2-ol?
The IUPAC name of 4,4-dimethyl-1-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-2-ol (CID 103859112) is 4,4-dimethyl-1-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-1-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-2-ol is Cc1oc2ccccc2c1CNCC(O)CC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-2-ol?
The InChIKey is KSECWVPSIFVVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-15(14-7-5-6-8-16(14)20-12)11-18-10-13(19)9-17(2,3)4/h5-8,13,18-19H,9-11H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-2-ol?
4,4-dimethyl-1-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-2-ol has a molecular weight of 275.39 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 103859112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).