3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine

C14H17NO — CID 2771861

IUPAC3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(CCN)c2ccco2)cc1
InChIInChI=1S/C14H17NO/c1-11-4-6-12(7-5-11)13(8-9-15)14-3-2-10-16-14/h2-7,10,13H,8-9,15H2,1H3
InChIKeyPNKALXSRPWFOJZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.07
Rot. Bonds4

About 3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine

3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine (PubChem CID 2771861) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine
PubChem CID2771861
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(CCN)c2ccco2)cc1
InChIInChI=1S/C14H17NO/c1-11-4-6-12(7-5-11)13(8-9-15)14-3-2-10-16-14/h2-7,10,13H,8-9,15H2,1H3
InChIKeyPNKALXSRPWFOJZ-UHFFFAOYSA-N
XLogP3.07
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of 3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine (CID 2771861) is 3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine is Cc1ccc(C(CCN)c2ccco2)cc1.
What is the InChIKey of 3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine?
The InChIKey is PNKALXSRPWFOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-11-4-6-12(7-5-11)13(8-9-15)14-3-2-10-16-14/h2-7,10,13H,8-9,15H2,1H3.
What are the key properties of 3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine?
3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 2771861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).