N-undecan-6-yl-2,3-dihydro-1-benzofuran-5-amine

C19H31NO — CID 43788575

IUPACN-undecan-6-yl-2,3-dihydro-1-benzofuran-5-amine
SMILESCCCCCC(CCCCC)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C19H31NO/c1-3-5-7-9-17(10-8-6-4-2)20-18-11-12-19-16(15-18)13-14-21-19/h11-12,15,17,20H,3-10,13-14H2,1-2H3
InChIKeyYIYKKCPAZZOMBP-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.56
Rot. Bonds10

About N-undecan-6-yl-2,3-dihydro-1-benzofuran-5-amine

N-undecan-6-yl-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 43788575) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-undecan-6-yl-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-undecan-6-yl-2,3-dihydro-1-benzofuran-5-amine
PubChem CID43788575
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-undecan-6-yl-2,3-dihydro-1-benzofuran-5-amine
SMILESCCCCCC(CCCCC)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C19H31NO/c1-3-5-7-9-17(10-8-6-4-2)20-18-11-12-19-16(15-18)13-14-21-19/h11-12,15,17,20H,3-10,13-14H2,1-2H3
InChIKeyYIYKKCPAZZOMBP-UHFFFAOYSA-N
XLogP5.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol
CID 61099251
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine
CID 65450080
N-heptan-3-yl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 63945872
1-(2,3-dihydro-1-benzofuran-5-yl)decylhydrazine
CID 105293354
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylheptan-1-amine
CID 114752389
5-(1-chloropentyl)-2,3-dihydro-1-benzofuran
CID 61086357
N-octan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43129743
N-[1-(4-methoxyphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732686
N-[1-(4-ethylphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732589
N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbutane-1,4-diamine
CID 115201733
N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropane-1,3-diamine
CID 115197732
N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732657

Frequently Asked Questions

What is the IUPAC name of N-undecan-6-yl-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of N-undecan-6-yl-2,3-dihydro-1-benzofuran-5-amine (CID 43788575) is N-undecan-6-yl-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for N-undecan-6-yl-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for N-undecan-6-yl-2,3-dihydro-1-benzofuran-5-amine is CCCCCC(CCCCC)Nc1ccc2c(c1)CCO2.
What is the InChIKey of N-undecan-6-yl-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is YIYKKCPAZZOMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-5-7-9-17(10-8-6-4-2)20-18-11-12-19-16(15-18)13-14-21-19/h11-12,15,17,20H,3-10,13-14H2,1-2H3.
What are the key properties of N-undecan-6-yl-2,3-dihydro-1-benzofuran-5-amine?
N-undecan-6-yl-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 289.46 g/mol, XLogP of 5.56, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-undecan-6-yl-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 43788575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).