N-(3-methylbut-3-enyl)-2,3-dihydro-1-benzofuran-3-amine

C13H17NO — CID 114472320

IUPACN-(3-methylbut-3-enyl)-2,3-dihydro-1-benzofuran-3-amine
SMILESC=C(C)CCNC1COc2ccccc21
InChIInChI=1S/C13H17NO/c1-10(2)7-8-14-12-9-15-13-6-4-3-5-11(12)13/h3-6,12,14H,1,7-9H2,2H3
InChIKeyLEVPXFDNBUIREZ-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.68
Rot. Bonds4

About N-(3-methylbut-3-enyl)-2,3-dihydro-1-benzofuran-3-amine

N-(3-methylbut-3-enyl)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 114472320) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-(3-methylbut-3-enyl)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-(3-methylbut-3-enyl)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID114472320
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-(3-methylbut-3-enyl)-2,3-dihydro-1-benzofuran-3-amine
SMILESC=C(C)CCNC1COc2ccccc21
InChIInChI=1S/C13H17NO/c1-10(2)7-8-14-12-9-15-13-6-4-3-5-11(12)13/h3-6,12,14H,1,7-9H2,2H3
InChIKeyLEVPXFDNBUIREZ-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoroethyl)-2,3-dihydro-1-benzofuran-3-amine
CID 80694200
1-(2,3-dihydro-1-benzofuran-3-yl)-4-methylpent-4-en-1-one
CID 114473710
N-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-3-amine
CID 64553362
N-(4-methoxybutyl)-2,3-dihydro-1-benzofuran-3-amine
CID 115709754
1-(2,3-dihydro-1-benzofuran-3-yl)-2-(2-methylprop-2-enyl)guanidine
CID 110050354
tert-butyl N-[2-(2,3-dihydro-1-benzofuran-3-ylamino)ethyl]carbamate
CID 115615306
3-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1-ethyl-1-(2-methylprop-2-enyl)urea
CID 94867438
1-(2,3-dihydro-1-benzofuran-3-yl)-4-methylpent-4-en-1-amine
CID 114475780
N-[4-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenyl]acetamide
CID 63378630
N-[(3-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 115653449
N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 79883117
N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378811

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-3-enyl)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-(3-methylbut-3-enyl)-2,3-dihydro-1-benzofuran-3-amine (CID 114472320) is N-(3-methylbut-3-enyl)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-(3-methylbut-3-enyl)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-(3-methylbut-3-enyl)-2,3-dihydro-1-benzofuran-3-amine is C=C(C)CCNC1COc2ccccc21.
What is the InChIKey of N-(3-methylbut-3-enyl)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is LEVPXFDNBUIREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10(2)7-8-14-12-9-15-13-6-4-3-5-11(12)13/h3-6,12,14H,1,7-9H2,2H3.
What are the key properties of N-(3-methylbut-3-enyl)-2,3-dihydro-1-benzofuran-3-amine?
N-(3-methylbut-3-enyl)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 203.28 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-3-enyl)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 114472320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).