1-(azepan-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propan-2-amine

C18H28N2O — CID 79539978

IUPAC1-(azepan-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propan-2-amine
SMILESCC(CC1CCCCCN1)NCC1Cc2ccccc2O1
InChIInChI=1S/C18H28N2O/c1-14(11-16-8-3-2-6-10-19-16)20-13-17-12-15-7-4-5-9-18(15)21-17/h4-5,7,9,14,16-17,19-20H,2-3,6,8,10-13H2,1H3
InChIKeyLJZGCGYRRGHYAL-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.89
Rot. Bonds5

About 1-(azepan-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propan-2-amine

1-(azepan-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propan-2-amine (PubChem CID 79539978) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(azepan-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(azepan-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propan-2-amine
PubChem CID79539978
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-(azepan-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propan-2-amine
SMILESCC(CC1CCCCCN1)NCC1Cc2ccccc2O1
InChIInChI=1S/C18H28N2O/c1-14(11-16-8-3-2-6-10-19-16)20-13-17-12-15-7-4-5-9-18(15)21-17/h4-5,7,9,14,16-17,19-20H,2-3,6,8,10-13H2,1H3
InChIKeyLJZGCGYRRGHYAL-UHFFFAOYSA-N
XLogP2.89
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine
CID 104867584
N-(oxolan-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine
CID 79548794
4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)butan-2-amine
CID 83186640
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106636121
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butanamide
CID 115676291
1-(azepan-2-yl)-N-(1,3-benzodioxol-4-ylmethyl)propan-2-amine
CID 79540466
3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 66349179
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hexan-2-amine
CID 54895979
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-ethoxypropan-2-amine
CID 66347030
N-(cyclobutylmethyl)-1-piperidin-2-ylpropan-2-amine
CID 79549693
1-(azepan-2-yl)-N-(cyclohex-3-en-1-ylmethyl)propan-2-amine
CID 79560562
1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
CID 60752409

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propan-2-amine?
The IUPAC name of 1-(azepan-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propan-2-amine (CID 79539978) is 1-(azepan-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(azepan-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(azepan-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propan-2-amine is CC(CC1CCCCCN1)NCC1Cc2ccccc2O1.
What is the InChIKey of 1-(azepan-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propan-2-amine?
The InChIKey is LJZGCGYRRGHYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(11-16-8-3-2-6-10-19-16)20-13-17-12-15-7-4-5-9-18(15)21-17/h4-5,7,9,14,16-17,19-20H,2-3,6,8,10-13H2,1H3.
What are the key properties of 1-(azepan-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propan-2-amine?
1-(azepan-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propan-2-amine has a molecular weight of 288.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 79539978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).