1-(furan-3-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine

C17H23NO — CID 105146793

IUPAC1-(furan-3-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccccc1C)c1ccoc1
InChIInChI=1S/C17H23NO/c1-3-11-18-17(16-10-12-19-13-16)9-8-15-7-5-4-6-14(15)2/h4-7,10,12-13,17-18H,3,8-9,11H2,1-2H3
InChIKeyLUBDRJCGAOSKEN-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.26
Rot. Bonds7

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

1-(furan-3-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine (PubChem CID 105146793) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(furan-3-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(furan-3-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine
PubChem CID105146793
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-(furan-3-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccccc1C)c1ccoc1
InChIInChI=1S/C17H23NO/c1-3-11-18-17(16-10-12-19-13-16)9-8-15-7-5-4-6-14(15)2/h4-7,10,12-13,17-18H,3,8-9,11H2,1-2H3
InChIKeyLUBDRJCGAOSKEN-UHFFFAOYSA-N
XLogP4.26
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105076565
1-(furan-3-yl)-3-(2-methylphenyl)propan-1-ol
CID 105097163
1-(2-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105099934
N-[2-(2-fluorophenyl)-1-(furan-3-yl)ethyl]propan-1-amine
CID 61064181
N-[1-(furan-3-yl)-2-naphthalen-1-ylethyl]propan-1-amine
CID 61078930
1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105173534
N-ethyl-3-(2-methylphenyl)-1-(4-methylphenyl)propan-1-amine
CID 105092556
4-methyl-1-(2-methylphenyl)-N-propylhexan-3-amine
CID 105170610
3-(3,4-dimethylphenyl)-1-phenyl-N-propylpropan-1-amine
CID 63400239
1-(2-methylphenyl)-N-propyldecan-3-amine
CID 105125070
N-[1-(3-bromofuran-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63944020
1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine
CID 105150378

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine?
The IUPAC name of 1-(furan-3-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine (CID 105146793) is 1-(furan-3-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(furan-3-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(furan-3-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine is CCCNC(CCc1ccccc1C)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine?
The InChIKey is LUBDRJCGAOSKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-11-18-17(16-10-12-19-13-16)9-8-15-7-5-4-6-14(15)2/h4-7,10,12-13,17-18H,3,8-9,11H2,1-2H3.
What are the key properties of 1-(furan-3-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine?
1-(furan-3-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 105146793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).