3-(5-methoxy-2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine

C14H21NO2 — CID 170865623

IUPAC3-(5-methoxy-2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine
SMILESCOc1cc(CCCN(C)C)c2c(c1)CCO2
InChIInChI=1S/C14H21NO2/c1-15(2)7-4-5-11-9-13(16-3)10-12-6-8-17-14(11)12/h9-10H,4-8H2,1-3H3
InChIKeySERWIJUUNIWZOO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.12
Rot. Bonds5

About 3-(5-methoxy-2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine

3-(5-methoxy-2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine (PubChem CID 170865623) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(5-methoxy-2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(5-methoxy-2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine
PubChem CID170865623
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-(5-methoxy-2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine
SMILESCOc1cc(CCCN(C)C)c2c(c1)CCO2
InChIInChI=1S/C14H21NO2/c1-15(2)7-4-5-11-9-13(16-3)10-12-6-8-17-14(11)12/h9-10H,4-8H2,1-3H3
InChIKeySERWIJUUNIWZOO-UHFFFAOYSA-N
XLogP2.12
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine
CID 170866001
3-(6-methoxy-3,4-dihydro-2H-chromen-7-yl)-N,N-dimethylpropan-1-amine
CID 170865622
3-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine
CID 117319788
2-[3-(dimethylamino)propyl]-5-methoxyphenol
CID 170865157
3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N,N-dimethylpropan-1-amine
CID 170865915
5-ethyl-7-methoxy-2,3-dihydro-1-benzofuran
CID 170265985
3-(2-hex-1-ynyl-5-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 14128162
N,N-dimethyl-3-(6-methyl-1,3-benzodioxol-5-yl)propan-1-amine
CID 170865570
2-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 117297220
4-[3-(dimethylamino)propyl]-N,N-diethyl-3-methoxyaniline
CID 170865901
5-[5-[3-(2-methoxyphenyl)propylamino]pentanoyl]-N,N-dimethyl-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
CID 174474749
(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanesulfonyl chloride
CID 117411462

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(5-methoxy-2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine (CID 170865623) is 3-(5-methoxy-2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(5-methoxy-2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(5-methoxy-2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine is COc1cc(CCCN(C)C)c2c(c1)CCO2.
What is the InChIKey of 3-(5-methoxy-2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is SERWIJUUNIWZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-15(2)7-4-5-11-9-13(16-3)10-12-6-8-17-14(11)12/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-(5-methoxy-2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine?
3-(5-methoxy-2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-2,3-dihydro-1-benzofuran-7-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170865623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).