1-(2,3-dihydrofuran-5-yl)-3-(4-methylphenyl)propan-1-amine

C14H19NO — CID 102653299

IUPAC1-(2,3-dihydrofuran-5-yl)-3-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(CCC(N)C2=CCCO2)cc1
InChIInChI=1S/C14H19NO/c1-11-4-6-12(7-5-11)8-9-13(15)14-3-2-10-16-14/h3-7,13H,2,8-10,15H2,1H3
InChIKeyRAHQQUMHWFQTER-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.56
Rot. Bonds4

About 1-(2,3-dihydrofuran-5-yl)-3-(4-methylphenyl)propan-1-amine

1-(2,3-dihydrofuran-5-yl)-3-(4-methylphenyl)propan-1-amine (PubChem CID 102653299) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-3-(4-methylphenyl)propan-1-amine
PubChem CID102653299
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(2,3-dihydrofuran-5-yl)-3-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(CCC(N)C2=CCCO2)cc1
InChIInChI=1S/C14H19NO/c1-11-4-6-12(7-5-11)8-9-13(15)14-3-2-10-16-14/h3-7,13H,2,8-10,15H2,1H3
InChIKeyRAHQQUMHWFQTER-UHFFFAOYSA-N
XLogP2.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydrofuran-5-yl)pentan-1-amine
CID 102651898
1-(2,3-dihydrofuran-5-yl)-4-methoxypentan-1-amine
CID 102653078
1-(cyclohepten-1-yl)-3-(4-methylphenyl)propan-1-amine
CID 106657002
2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)ethanamine
CID 102651201
1-(2,3-dihydrofuran-5-yl)-3-methylbutan-1-amine
CID 102651213
1-(3,4-dihydro-2H-pyran-5-yl)-3-(4-methylphenyl)propan-1-amine
CID 105179419
2,3-dihydrofuran-5-yl-(4-ethylphenyl)methanamine
CID 102651207
1-(2,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-amine
CID 105145357
1-(2,3-dihydrofuran-5-yl)-3,4,4-trimethylpentan-1-amine
CID 102653140
1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine
CID 11816793
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(3-methylphenyl)propan-1-amine
CID 102653664
1-(4-methylphenyl)decan-3-amine
CID 105125085

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-3-(4-methylphenyl)propan-1-amine (CID 102653299) is 1-(2,3-dihydrofuran-5-yl)-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-3-(4-methylphenyl)propan-1-amine is Cc1ccc(CCC(N)C2=CCCO2)cc1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-3-(4-methylphenyl)propan-1-amine?
The InChIKey is RAHQQUMHWFQTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-4-6-12(7-5-11)8-9-13(15)14-3-2-10-16-14/h3-7,13H,2,8-10,15H2,1H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-3-(4-methylphenyl)propan-1-amine?
1-(2,3-dihydrofuran-5-yl)-3-(4-methylphenyl)propan-1-amine has a molecular weight of 217.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 102653299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).