1-(1-benzofuran-2-yl)-N-methyldecan-1-amine

C19H29NO — CID 63418238

IUPAC1-(1-benzofuran-2-yl)-N-methyldecan-1-amine
SMILESCCCCCCCCCC(NC)c1cc2ccccc2o1
InChIInChI=1S/C19H29NO/c1-3-4-5-6-7-8-9-13-17(20-2)19-15-16-12-10-11-14-18(16)21-19/h10-12,14-15,17,20H,3-9,13H2,1-2H3
InChIKeyDHSCYCRAKKSMAP-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.83
Rot. Bonds10

About 1-(1-benzofuran-2-yl)-N-methyldecan-1-amine

1-(1-benzofuran-2-yl)-N-methyldecan-1-amine (PubChem CID 63418238) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-methyldecan-1-amine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-methyldecan-1-amine
PubChem CID63418238
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-(1-benzofuran-2-yl)-N-methyldecan-1-amine
SMILESCCCCCCCCCC(NC)c1cc2ccccc2o1
InChIInChI=1S/C19H29NO/c1-3-4-5-6-7-8-9-13-17(20-2)19-15-16-12-10-11-14-18(16)21-19/h10-12,14-15,17,20H,3-9,13H2,1-2H3
InChIKeyDHSCYCRAKKSMAP-UHFFFAOYSA-N
XLogP5.83
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.83
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

1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine
CID 63418453
N-methyl-1-(5-methyl-1-benzofuran-2-yl)heptan-1-amine
CID 105045111
1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine
CID 115608859
1-(1-benzofuran-2-yl)heptan-1-ol
CID 63089894
1-(1-benzofuran-2-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 63192280
1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine
CID 64615500
1-(1-benzofuran-2-yl)-N-propyloct-7-en-1-amine
CID 107009087
1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
CID 61064024
N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine
CID 43080080
1-(1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105184842
N-methyl-1-[2-[1-(methylamino)pentadecyl]phenyl]pentadecan-1-amine
CID 57228103
1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine
CID 79185588

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-methyldecan-1-amine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-methyldecan-1-amine (CID 63418238) is 1-(1-benzofuran-2-yl)-N-methyldecan-1-amine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-methyldecan-1-amine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-methyldecan-1-amine is CCCCCCCCCC(NC)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-methyldecan-1-amine?
The InChIKey is DHSCYCRAKKSMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-3-4-5-6-7-8-9-13-17(20-2)19-15-16-12-10-11-14-18(16)21-19/h10-12,14-15,17,20H,3-9,13H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-methyldecan-1-amine?
1-(1-benzofuran-2-yl)-N-methyldecan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 5.83, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-methyldecan-1-amine is sourced from PubChem (CID 63418238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).