4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]butan-1-ol

C14H21NO2 — CID 106841886

IUPAC4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]butan-1-ol
SMILESCc1ccc2c(c1)CC(CNCCCCO)O2
InChIInChI=1S/C14H21NO2/c1-11-4-5-14-12(8-11)9-13(17-14)10-15-6-2-3-7-16/h4-5,8,13,15-16H,2-3,6-7,9-10H2,1H3
InChIKeyKCHRBEIOIDETGH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.66
Rot. Bonds6

About 4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]butan-1-ol

4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]butan-1-ol (PubChem CID 106841886) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]butan-1-ol
PubChem CID106841886
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]butan-1-ol
SMILESCc1ccc2c(c1)CC(CNCCCCO)O2
InChIInChI=1S/C14H21NO2/c1-11-4-5-14-12(8-11)9-13(17-14)10-15-6-2-3-7-16/h4-5,8,13,15-16H,2-3,6-7,9-10H2,1H3
InChIKeyKCHRBEIOIDETGH-UHFFFAOYSA-N
XLogP1.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.66
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

2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol
CID 66359994
N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,3-diamine
CID 66360006
N',N'-diethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,3-diamine
CID 66361145
5-chloro-4-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-1-amine
CID 106153636
3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]propanamide
CID 66361152
N'-ethyl-N'-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 66361548
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylethanamine
CID 66360372
N-ethyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine
CID 66393308
2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200722
3-[[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]hexan-1-ol
CID 106115486
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106429606
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 66361339

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]butan-1-ol?
The IUPAC name of 4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]butan-1-ol (CID 106841886) is 4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]butan-1-ol.
What is the SMILES notation for 4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]butan-1-ol?
The canonical SMILES for 4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]butan-1-ol is Cc1ccc2c(c1)CC(CNCCCCO)O2.
What is the InChIKey of 4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]butan-1-ol?
The InChIKey is KCHRBEIOIDETGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-4-5-14-12(8-11)9-13(17-14)10-15-6-2-3-7-16/h4-5,8,13,15-16H,2-3,6-7,9-10H2,1H3.
What are the key properties of 4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]butan-1-ol?
4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]butan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]butan-1-ol is sourced from PubChem (CID 106841886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).