N-(4-methoxybutyl)-2,3-dihydro-1-benzofuran-3-amine

C13H19NO2 — CID 115709754

IUPACN-(4-methoxybutyl)-2,3-dihydro-1-benzofuran-3-amine
SMILESCOCCCCNC1COc2ccccc21
InChIInChI=1S/C13H19NO2/c1-15-9-5-4-8-14-12-10-16-13-7-3-2-6-11(12)13/h2-3,6-7,12,14H,4-5,8-10H2,1H3
InChIKeyHTZFMMMNOJFGLQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.14
Rot. Bonds6

About N-(4-methoxybutyl)-2,3-dihydro-1-benzofuran-3-amine

N-(4-methoxybutyl)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 115709754) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(4-methoxybutyl)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-(4-methoxybutyl)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID115709754
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(4-methoxybutyl)-2,3-dihydro-1-benzofuran-3-amine
SMILESCOCCCCNC1COc2ccccc21
InChIInChI=1S/C13H19NO2/c1-15-9-5-4-8-14-12-10-16-13-7-3-2-6-11(12)13/h2-3,6-7,12,14H,4-5,8-10H2,1H3
InChIKeyHTZFMMMNOJFGLQ-UHFFFAOYSA-N
XLogP2.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
CID 7287154
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine
CID 79227067
N-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-3-amine
CID 80694200
N-(3-methylbut-3-enyl)-2,3-dihydro-1-benzofuran-3-amine
CID 114472320
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methoxybutan-1-amine
CID 115756534
N-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-3-amine
CID 64553362
N-(4-methoxybutyl)-9,10-dihydroanthracen-9-amine
CID 62921270
3-(3-methoxypropylsulfanyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 64628268
tert-butyl N-[2-(2,3-dihydro-1-benzofuran-3-ylamino)ethyl]carbamate
CID 115615306
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405504
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(3-methoxypropyl)acetamide
CID 60693734
3-(3-propan-2-yloxypropylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43207441

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-(4-methoxybutyl)-2,3-dihydro-1-benzofuran-3-amine (CID 115709754) is N-(4-methoxybutyl)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-(4-methoxybutyl)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-(4-methoxybutyl)-2,3-dihydro-1-benzofuran-3-amine is COCCCCNC1COc2ccccc21.
What is the InChIKey of N-(4-methoxybutyl)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is HTZFMMMNOJFGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-9-5-4-8-14-12-10-16-13-7-3-2-6-11(12)13/h2-3,6-7,12,14H,4-5,8-10H2,1H3.
What are the key properties of N-(4-methoxybutyl)-2,3-dihydro-1-benzofuran-3-amine?
N-(4-methoxybutyl)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 221.30 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 115709754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).