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

C16H25NO — CID 62693058

IUPACN-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine
SMILESCCC(C)CNC(CC)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H25NO/c1-4-12(3)11-17-15(5-2)13-6-7-16-14(10-13)8-9-18-16/h6-7,10,12,15,17H,4-5,8-9,11H2,1-3H3
InChIKeyOHSIBZNLQKZRQI-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.71
Rot. Bonds6

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

N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine (PubChem CID 62693058) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine
PubChem CID62693058
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine
SMILESCCC(C)CNC(CC)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H25NO/c1-4-12(3)11-17-15(5-2)13-6-7-16-14(10-13)8-9-18-16/h6-7,10,12,15,17H,4-5,8-9,11H2,1-3H3
InChIKeyOHSIBZNLQKZRQI-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.71
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-methylpropan-1-amine
CID 43756451
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
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
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(oxan-4-ylmethyl)propan-1-amine
CID 63727497
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43768025
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine
CID 107269888

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine?
The IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine (CID 62693058) is N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine?
The canonical SMILES for N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine is CCC(C)CNC(CC)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine?
The InChIKey is OHSIBZNLQKZRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-12(3)11-17-15(5-2)13-6-7-16-14(10-13)8-9-18-16/h6-7,10,12,15,17H,4-5,8-9,11H2,1-3H3.
What are the key properties of N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine?
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.71, 6 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-methylbutan-1-amine is sourced from PubChem (CID 62693058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).