1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine

C14H21NO — CID 43297168

IUPAC1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine
SMILESCCCCC(N)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C14H21NO/c1-3-4-5-13(15)11-6-7-14-12(9-11)8-10(2)16-14/h6-7,9-10,13H,3-5,8,15H2,1-2H3
InChIKeyPWRVCTVQQJHDFS-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.20
Rot. Bonds4

About 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine

1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine (PubChem CID 43297168) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine
PubChem CID43297168
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine
SMILESCCCCC(N)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C14H21NO/c1-3-4-5-13(15)11-6-7-14-12(9-11)8-10(2)16-14/h6-7,9-10,13H,3-5,8,15H2,1-2H3
InChIKeyPWRVCTVQQJHDFS-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine
CID 42129700
2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)hexan-1-amine
CID 43297172
2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 82605121
5-(1-chloro-2-ethylhexyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 63436804
5-(1-chloroheptyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 114753527
5-(1-bromodecyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 65428516
5-(1-bromobutyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 63443124
2-[2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethoxy]acetamide
CID 61328585
2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-ol
CID 61082441
5-(1-bromo-2-methylpentyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 55199936
(1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 82758743
1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride
CID 86262922

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine?
The IUPAC name of 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine (CID 43297168) is 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine.
What is the SMILES notation for 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine?
The canonical SMILES for 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine is CCCCC(N)c1ccc2c(c1)CC(C)O2.
What is the InChIKey of 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine?
The InChIKey is PWRVCTVQQJHDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-4-5-13(15)11-6-7-14-12(9-11)8-10(2)16-14/h6-7,9-10,13H,3-5,8,15H2,1-2H3.
What are the key properties of 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine?
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine is sourced from PubChem (CID 43297168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).