N-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine

C18H29NO — CID 63492046

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine
SMILESCCCCCCCCCNCC1Cc2ccccc2O1
InChIInChI=1S/C18H29NO/c1-2-3-4-5-6-7-10-13-19-15-17-14-16-11-8-9-12-18(16)20-17/h8-9,11-12,17,19H,2-7,10,13-15H2,1H3
InChIKeyLTROWLCNUPBOKR-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.33
Rot. Bonds10

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine (PubChem CID 63492046) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine
PubChem CID63492046
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine
SMILESCCCCCCCCCNCC1Cc2ccccc2O1
InChIInChI=1S/C18H29NO/c1-2-3-4-5-6-7-10-13-19-15-17-14-16-11-8-9-12-18(16)20-17/h8-9,11-12,17,19H,2-7,10,13-15H2,1H3
InChIKeyLTROWLCNUPBOKR-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.33
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-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hex-5-yn-1-amine
CID 106212017
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
CID 114505487
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 54895983
5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pentanamide
CID 106237490
N-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]methanesulfonamide
CID 106336807
N-(3,4-dihydro-2H-1,5-benzodioxepin-4-ylmethyl)hexan-1-amine
CID 82461321
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pent-3-yn-1-amine
CID 104806388
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hexan-2-amine
CID 54895979
1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol
CID 61004261
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-methylpropanamide
CID 62325690
N-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]benzamide
CID 19065262

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine (CID 63492046) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine is CCCCCCCCCNCC1Cc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine?
The InChIKey is LTROWLCNUPBOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-2-3-4-5-6-7-10-13-19-15-17-14-16-11-8-9-12-18(16)20-17/h8-9,11-12,17,19H,2-7,10,13-15H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.33, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine is sourced from PubChem (CID 63492046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).