N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-propan-2-ylazepan-4-amine

C18H28N2O — CID 65073328

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-propan-2-ylazepan-4-amine
SMILESCC(C)N1CCCC(NCC2Cc3ccccc3O2)CC1
InChIInChI=1S/C18H28N2O/c1-14(2)20-10-5-7-16(9-11-20)19-13-17-12-15-6-3-4-8-18(15)21-17/h3-4,6,8,14,16-17,19H,5,7,9-13H2,1-2H3
InChIKeyQMXROACTXAAFSH-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.84
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-propan-2-ylazepan-4-amine

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-propan-2-ylazepan-4-amine (PubChem CID 65073328) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-propan-2-ylazepan-4-amine
PubChem CID65073328
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-propan-2-ylazepan-4-amine
SMILESCC(C)N1CCCC(NCC2Cc3ccccc3O2)CC1
InChIInChI=1S/C18H28N2O/c1-14(2)20-10-5-7-16(9-11-20)19-13-17-12-15-6-3-4-8-18(15)21-17/h3-4,6,8,14,16-17,19H,5,7,9-13H2,1-2H3
InChIKeyQMXROACTXAAFSH-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonylpiperidin-4-amine
CID 66348971
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-4-amine
CID 54895838
3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopentane-1,3-diamine
CID 79462285
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757393
2-[[(1-propan-2-ylazepan-4-yl)amino]methyl]phenol
CID 114331588
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-3-amine
CID 66365713
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 75382521
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine
CID 66360582
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentanamine
CID 66360179
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1-methylpiperidin-4-yl)ethanamine
CID 61003470
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-dimethylpiperidin-4-amine
CID 115708414

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-propan-2-ylazepan-4-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-propan-2-ylazepan-4-amine (CID 65073328) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-propan-2-ylazepan-4-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-propan-2-ylazepan-4-amine is CC(C)N1CCCC(NCC2Cc3ccccc3O2)CC1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-propan-2-ylazepan-4-amine?
The InChIKey is QMXROACTXAAFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)20-10-5-7-16(9-11-20)19-13-17-12-15-6-3-4-8-18(15)21-17/h3-4,6,8,14,16-17,19H,5,7,9-13H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-propan-2-ylazepan-4-amine?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-propan-2-ylazepan-4-amine has a molecular weight of 288.44 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 65073328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).