3-(furan-2-yl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine

C17H23NO — CID 79416571

IUPAC3-(furan-2-yl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
SMILESCc1cccc(C(CNC(C)C)Cc2ccco2)c1
InChIInChI=1S/C17H23NO/c1-13(2)18-12-16(11-17-8-5-9-19-17)15-7-4-6-14(3)10-15/h4-10,13,16,18H,11-12H2,1-3H3
InChIKeyPENFDYCFAMBGIN-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.91
Rot. Bonds6

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

3-(furan-2-yl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine (PubChem CID 79416571) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(furan-2-yl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
PubChem CID79416571
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name3-(furan-2-yl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
SMILESCc1cccc(C(CNC(C)C)Cc2ccco2)c1
InChIInChI=1S/C17H23NO/c1-13(2)18-12-16(11-17-8-5-9-19-17)15-7-4-6-14(3)10-15/h4-10,13,16,18H,11-12H2,1-3H3
InChIKeyPENFDYCFAMBGIN-UHFFFAOYSA-N
XLogP3.91
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(furan-2-yl)-2-(3-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79416841
N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 83176005
3-(2-bromophenyl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 79422919
2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine
CID 79416846
2-(2-fluorophenyl)-3-(furan-2-yl)-N-propan-2-ylpropan-1-amine
CID 79439686
4-(furan-2-yl)-N-[(1R)-1-(3-methylphenyl)ethyl]butan-2-amine
CID 81363511
N-[2-(3-bromophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine
CID 79442534
2-(furan-2-ylmethyl)-4-methyl-N-propan-2-ylpentan-1-amine
CID 62998125
2-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 79443194
2-(furan-2-ylmethylamino)-2-(3-methylphenyl)acetic acid
CID 84750176
N-methyl-2-(3-methylphenyl)-3-trimethylsilylpropan-1-amine
CID 106323720
2-[1-(furan-2-yl)ethylamino]-1-(3-methylphenyl)ethanol
CID 84595635

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(furan-2-yl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine (CID 79416571) is 3-(furan-2-yl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(furan-2-yl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(furan-2-yl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine is Cc1cccc(C(CNC(C)C)Cc2ccco2)c1.
What is the InChIKey of 3-(furan-2-yl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is PENFDYCFAMBGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-13(2)18-12-16(11-17-8-5-9-19-17)15-7-4-6-14(3)10-15/h4-10,13,16,18H,11-12H2,1-3H3.
What are the key properties of 3-(furan-2-yl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine?
3-(furan-2-yl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 79416571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).