3-(5-methyl-1-benzofuran-2-yl)propan-1-amine

C12H15NO — CID 82504583

IUPAC3-(5-methyl-1-benzofuran-2-yl)propan-1-amine
SMILESCc1ccc2oc(CCCN)cc2c1
InChIInChI=1S/C12H15NO/c1-9-4-5-12-10(7-9)8-11(14-12)3-2-6-13/h4-5,7-8H,2-3,6,13H2,1H3
InChIKeyJVKPEDNSBOZTKS-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.63
Rot. Bonds3

About 3-(5-methyl-1-benzofuran-2-yl)propan-1-amine

3-(5-methyl-1-benzofuran-2-yl)propan-1-amine (PubChem CID 82504583) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(5-methyl-1-benzofuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-methyl-1-benzofuran-2-yl)propan-1-amine
PubChem CID82504583
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-(5-methyl-1-benzofuran-2-yl)propan-1-amine
SMILESCc1ccc2oc(CCCN)cc2c1
InChIInChI=1S/C12H15NO/c1-9-4-5-12-10(7-9)8-11(14-12)3-2-6-13/h4-5,7-8H,2-3,6,13H2,1H3
InChIKeyJVKPEDNSBOZTKS-UHFFFAOYSA-N
XLogP2.63
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-methyl-1-benzofuran-2-yl)propan-1-amine
CID 82504582
(5-methyl-1-benzofuran-2-yl)methanethiol
CID 117185273
N'-(5-methyl-1-benzofuran-2-yl)propane-1,3-diamine
CID 114732599
N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hexan-3-amine
CID 114733401
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
2-propyl-1-benzofuran-5-amine
CID 22132951
2,2-dimethyl-3-(5-methyl-1-benzofuran-2-yl)propanoic acid
CID 117195137
N-[(5-methyl-1-benzofuran-2-yl)methyl]aniline
CID 55013176
3-(5-methyl-1-benzothiophen-2-yl)propan-1-amine
CID 82610165
2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-propan-2-ylpropan-1-amine
CID 114733537
1-(2,6-dimethyl-3-pyridinyl)-3-(5-methyl-1-benzofuran-2-yl)propan-1-one
CID 143305158
4-amino-2-methyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-one
CID 114737056

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1-benzofuran-2-yl)propan-1-amine?
The IUPAC name of 3-(5-methyl-1-benzofuran-2-yl)propan-1-amine (CID 82504583) is 3-(5-methyl-1-benzofuran-2-yl)propan-1-amine.
What is the SMILES notation for 3-(5-methyl-1-benzofuran-2-yl)propan-1-amine?
The canonical SMILES for 3-(5-methyl-1-benzofuran-2-yl)propan-1-amine is Cc1ccc2oc(CCCN)cc2c1.
What is the InChIKey of 3-(5-methyl-1-benzofuran-2-yl)propan-1-amine?
The InChIKey is JVKPEDNSBOZTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-4-5-12-10(7-9)8-11(14-12)3-2-6-13/h4-5,7-8H,2-3,6,13H2,1H3.
What are the key properties of 3-(5-methyl-1-benzofuran-2-yl)propan-1-amine?
3-(5-methyl-1-benzofuran-2-yl)propan-1-amine has a molecular weight of 189.26 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1-benzofuran-2-yl)propan-1-amine is sourced from PubChem (CID 82504583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).