1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine

C14H21NO — CID 114745766

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine
SMILESCCCCC(NC)c1cccc2c1OCC2
InChIInChI=1S/C14H21NO/c1-3-4-8-13(15-2)12-7-5-6-11-9-10-16-14(11)12/h5-7,13,15H,3-4,8-10H2,1-2H3
InChIKeyXZZOUBGPNBUWJC-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.07
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine

1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine (PubChem CID 114745766) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine
PubChem CID114745766
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine
SMILESCCCCC(NC)c1cccc2c1OCC2
InChIInChI=1S/C14H21NO/c1-3-4-8-13(15-2)12-7-5-6-11-9-10-16-14(11)12/h5-7,13,15H,3-4,8-10H2,1-2H3
InChIKeyXZZOUBGPNBUWJC-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-N-methylbutan-1-amine
CID 114745045
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine
CID 104541692
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-phenylsulfanylethanamine
CID 114745502
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylnonan-1-amine
CID 104545544
2-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745282
2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745177
2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745490
3-cyclohexyl-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylpropan-1-amine
CID 105049036
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216476
2-(2-bromophenyl)sulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745652
7-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89030364
[1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-ylsulfanylethyl]hydrazine
CID 105226295

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine (CID 114745766) is 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine is CCCCC(NC)c1cccc2c1OCC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine?
The InChIKey is XZZOUBGPNBUWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-4-8-13(15-2)12-7-5-6-11-9-10-16-14(11)12/h5-7,13,15H,3-4,8-10H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine?
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine is sourced from PubChem (CID 114745766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).