6-[(2-methyl-1-benzofuran-3-yl)methylamino]hexan-1-ol

C16H23NO2 — CID 103924069

IUPAC6-[(2-methyl-1-benzofuran-3-yl)methylamino]hexan-1-ol
SMILESCc1oc2ccccc2c1CNCCCCCCO
InChIInChI=1S/C16H23NO2/c1-13-15(12-17-10-6-2-3-7-11-18)14-8-4-5-9-16(14)19-13/h4-5,8-9,17-18H,2-3,6-7,10-12H2,1H3
InChIKeySIUYTTBWKLNGOU-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.38
Rot. Bonds8

About 6-[(2-methyl-1-benzofuran-3-yl)methylamino]hexan-1-ol

6-[(2-methyl-1-benzofuran-3-yl)methylamino]hexan-1-ol (PubChem CID 103924069) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 6-[(2-methyl-1-benzofuran-3-yl)methylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[(2-methyl-1-benzofuran-3-yl)methylamino]hexan-1-ol
PubChem CID103924069
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name6-[(2-methyl-1-benzofuran-3-yl)methylamino]hexan-1-ol
SMILESCc1oc2ccccc2c1CNCCCCCCO
InChIInChI=1S/C16H23NO2/c1-13-15(12-17-10-6-2-3-7-11-18)14-8-4-5-9-16(14)19-13/h4-5,8-9,17-18H,2-3,6-7,10-12H2,1H3
InChIKeySIUYTTBWKLNGOU-UHFFFAOYSA-N
XLogP3.38
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethyl-5-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-1-ol
CID 103897611
3-butoxy-N-[(2-methyl-1-benzofuran-3-yl)methyl]propan-1-amine
CID 115774516
3-[(2-chloro-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 82705604
[4-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]phenyl]methanol
CID 107230098
2,2-difluoro-3-[(2-methyl-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 113462728
3-methyl-3-[(2-methyl-1-benzofuran-3-yl)methylamino]butan-1-ol
CID 115907355
6-(anthracen-9-ylmethylamino)hexan-1-ol
CID 11404042
N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115774534
N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine
CID 43226064
4,4-dimethyl-1-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-2-ol
CID 103859112
N-[(2-chloro-1-benzofuran-3-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 82705985
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine
CID 103859199

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-1-benzofuran-3-yl)methylamino]hexan-1-ol?
The IUPAC name of 6-[(2-methyl-1-benzofuran-3-yl)methylamino]hexan-1-ol (CID 103924069) is 6-[(2-methyl-1-benzofuran-3-yl)methylamino]hexan-1-ol.
What is the SMILES notation for 6-[(2-methyl-1-benzofuran-3-yl)methylamino]hexan-1-ol?
The canonical SMILES for 6-[(2-methyl-1-benzofuran-3-yl)methylamino]hexan-1-ol is Cc1oc2ccccc2c1CNCCCCCCO.
What is the InChIKey of 6-[(2-methyl-1-benzofuran-3-yl)methylamino]hexan-1-ol?
The InChIKey is SIUYTTBWKLNGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13-15(12-17-10-6-2-3-7-11-18)14-8-4-5-9-16(14)19-13/h4-5,8-9,17-18H,2-3,6-7,10-12H2,1H3.
What are the key properties of 6-[(2-methyl-1-benzofuran-3-yl)methylamino]hexan-1-ol?
6-[(2-methyl-1-benzofuran-3-yl)methylamino]hexan-1-ol has a molecular weight of 261.36 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-1-benzofuran-3-yl)methylamino]hexan-1-ol is sourced from PubChem (CID 103924069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).