N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine

C15H23NO — CID 43756451

IUPACN-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine
SMILESCCC(NCC(C)C)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H23NO/c1-4-14(16-10-11(2)3)12-5-6-15-13(9-12)7-8-17-15/h5-6,9,11,14,16H,4,7-8,10H2,1-3H3
InChIKeyQBPYMOKEJDYIRF-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.32
Rot. Bonds5

About N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine

N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine (PubChem CID 43756451) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine
PubChem CID43756451
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine
SMILESCCC(NCC(C)C)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H23NO/c1-4-14(16-10-11(2)3)12-5-6-15-13(9-12)7-8-17-15/h5-6,9,11,14,16H,4,7-8,10H2,1-3H3
InChIKeyQBPYMOKEJDYIRF-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine
CID 62693058
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2,3-dimethylbutan-1-amine
CID 64568486
3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-1,1,1-trifluoropropan-2-ol
CID 103778642
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine
CID 43756597
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-3-methylsulfanylbutan-1-amine
CID 115716082
N-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 43757036
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-6-methylheptan-2-amine
CID 43769265
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-4-methylpentan-1-amine
CID 43489857
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine
CID 43495458
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine
CID 104584906
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)propan-1-amine
CID 43778443
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2-methylcyclopropyl)methyl]propan-1-amine
CID 115712953

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine (CID 43756451) is N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine is CCC(NCC(C)C)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine?
The InChIKey is QBPYMOKEJDYIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-14(16-10-11(2)3)12-5-6-15-13(9-12)7-8-17-15/h5-6,9,11,14,16H,4,7-8,10H2,1-3H3.
What are the key properties of N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine?
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 43756451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).