1-(2-ethyl-1-benzofuran-3-yl)-N-methyloctan-1-amine

C19H29NO — CID 63506223

IUPAC1-(2-ethyl-1-benzofuran-3-yl)-N-methyloctan-1-amine
SMILESCCCCCCCC(NC)c1c(CC)oc2ccccc12
InChIInChI=1S/C19H29NO/c1-4-6-7-8-9-13-16(20-3)19-15-12-10-11-14-18(15)21-17(19)5-2/h10-12,14,16,20H,4-9,13H2,1-3H3
InChIKeyDNXCDODTDJDVBL-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.62
Rot. Bonds9

About 1-(2-ethyl-1-benzofuran-3-yl)-N-methyloctan-1-amine

1-(2-ethyl-1-benzofuran-3-yl)-N-methyloctan-1-amine (PubChem CID 63506223) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(2-ethyl-1-benzofuran-3-yl)-N-methyloctan-1-amine.

Molecular Properties

Compound Name1-(2-ethyl-1-benzofuran-3-yl)-N-methyloctan-1-amine
PubChem CID63506223
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-(2-ethyl-1-benzofuran-3-yl)-N-methyloctan-1-amine
SMILESCCCCCCCC(NC)c1c(CC)oc2ccccc12
InChIInChI=1S/C19H29NO/c1-4-6-7-8-9-13-16(20-3)19-15-12-10-11-14-18(15)21-17(19)5-2/h10-12,14,16,20H,4-9,13H2,1-3H3
InChIKeyDNXCDODTDJDVBL-UHFFFAOYSA-N
XLogP5.62
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine
CID 55195132
1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine
CID 62956806
1-(2-ethyl-1-benzofuran-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 65156552
1-(2-ethyl-1-benzofuran-3-yl)butan-1-amine
CID 62955226
1-(1-benzofuran-2-yl)-N-methyldecan-1-amine
CID 63418238
N-methyl-1-[2-[1-(methylamino)pentadecyl]phenyl]pentadecan-1-amine
CID 57228103
1-(4-bromophenyl)-1-(2-ethyl-1-benzofuran-3-yl)-N-methylmethanamine
CID 63504432
1-(2,6-difluorophenyl)-N-methyloctan-1-amine
CID 79523217
2-ethyl-3-pentyl-1-benzofuran
CID 70503240
1-(2,6-dichlorophenyl)-N-methyloctan-1-amine
CID 115832250
N-methyl-1-quinolin-4-yloctan-1-amine
CID 105124579
N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine
CID 43226064

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1-benzofuran-3-yl)-N-methyloctan-1-amine?
The IUPAC name of 1-(2-ethyl-1-benzofuran-3-yl)-N-methyloctan-1-amine (CID 63506223) is 1-(2-ethyl-1-benzofuran-3-yl)-N-methyloctan-1-amine.
What is the SMILES notation for 1-(2-ethyl-1-benzofuran-3-yl)-N-methyloctan-1-amine?
The canonical SMILES for 1-(2-ethyl-1-benzofuran-3-yl)-N-methyloctan-1-amine is CCCCCCCC(NC)c1c(CC)oc2ccccc12.
What is the InChIKey of 1-(2-ethyl-1-benzofuran-3-yl)-N-methyloctan-1-amine?
The InChIKey is DNXCDODTDJDVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-4-6-7-8-9-13-16(20-3)19-15-12-10-11-14-18(15)21-17(19)5-2/h10-12,14,16,20H,4-9,13H2,1-3H3.
What are the key properties of 1-(2-ethyl-1-benzofuran-3-yl)-N-methyloctan-1-amine?
1-(2-ethyl-1-benzofuran-3-yl)-N-methyloctan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 5.62, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1-benzofuran-3-yl)-N-methyloctan-1-amine is sourced from PubChem (CID 63506223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).