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

C16H25NO — CID 66365394

IUPAC2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,4-dimethylpentan-1-amine
SMILESCNCC(CC(C)C)CC1Cc2ccccc2O1
InChIInChI=1S/C16H25NO/c1-12(2)8-13(11-17-3)9-15-10-14-6-4-5-7-16(14)18-15/h4-7,12-13,15,17H,8-11H2,1-3H3
InChIKeyAYXLDONMNFTXQL-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.26
Rot. Bonds6

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

2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,4-dimethylpentan-1-amine (PubChem CID 66365394) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,4-dimethylpentan-1-amine
PubChem CID66365394
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,4-dimethylpentan-1-amine
SMILESCNCC(CC(C)C)CC1Cc2ccccc2O1
InChIInChI=1S/C16H25NO/c1-12(2)8-13(11-17-3)9-15-10-14-6-4-5-7-16(14)18-15/h4-7,12-13,15,17H,8-11H2,1-3H3
InChIKeyAYXLDONMNFTXQL-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 66363440
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanoic acid
CID 66365369
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N,4-dimethylpentan-1-amine
CID 79227512
2-[2-(chloromethyl)butyl]-2,3-dihydro-1-benzofuran
CID 66364657
1-(2,3-dihydro-1-benzofuran-2-yl)-N,2-dimethylpentan-3-amine
CID 66363030
4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol
CID 66363239
4-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpentan-1-amine
CID 66361456
2-(3-chloro-2-methylpentyl)-2,3-dihydro-1-benzofuran
CID 66363434
3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol
CID 66363821
2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 12872573
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905615
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethylbutan-1-amine
CID 66365130

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,4-dimethylpentan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,4-dimethylpentan-1-amine (CID 66365394) is 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,4-dimethylpentan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,4-dimethylpentan-1-amine is CNCC(CC(C)C)CC1Cc2ccccc2O1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,4-dimethylpentan-1-amine?
The InChIKey is AYXLDONMNFTXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)8-13(11-17-3)9-15-10-14-6-4-5-7-16(14)18-15/h4-7,12-13,15,17H,8-11H2,1-3H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,4-dimethylpentan-1-amine?
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,4-dimethylpentan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 66365394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).