5-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine

C12H17NO — CID 43511864

IUPAC5-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1COc2ccc(C)cc21
InChIInChI=1S/C12H17NO/c1-3-6-13-11-8-14-12-5-4-9(2)7-10(11)12/h4-5,7,11,13H,3,6,8H2,1-2H3
InChIKeyXPLRUAQKEREISY-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.43
Rot. Bonds3

About 5-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine

5-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 43511864) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 5-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID43511864
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name5-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1COc2ccc(C)cc21
InChIInChI=1S/C12H17NO/c1-3-6-13-11-8-14-12-5-4-9(2)7-10(11)12/h4-5,7,11,13H,3,6,8H2,1-2H3
InChIKeyXPLRUAQKEREISY-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-ethyl-6-methyl-N-propyl-3,4-dihydrochromen-4-amine
CID 114712823
8-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 79983235
6-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
CID 114712825
6-methyl-2-(5-methyloxolan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114712809
3'-ethoxy-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825138
2-(ethoxymethyl)-2,6-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 114712872
N',N'-diethyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine
CID 82461432
3'-ethyl-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114712836
3-ethyl-6-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 63821562
7-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511879
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
6-methyl-N-propyl-2-(1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114712835

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 43511864) is 5-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCNC1COc2ccc(C)cc21.
What is the InChIKey of 5-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is XPLRUAQKEREISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-6-13-11-8-14-12-5-4-9(2)7-10(11)12/h4-5,7,11,13H,3,6,8H2,1-2H3.
What are the key properties of 5-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
5-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 191.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 43511864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).