3-(furan-2-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine

C17H23NO — CID 104845531

IUPAC3-(furan-2-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccccc1)C(C)Cc1ccco1
InChIInChI=1S/C17H23NO/c1-3-11-18-17(15-8-5-4-6-9-15)14(2)13-16-10-7-12-19-16/h4-10,12,14,17-18H,3,11,13H2,1-2H3
InChIKeyATMHQAVNMPUOMH-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.20
Rot. Bonds7

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

3-(furan-2-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine (PubChem CID 104845531) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(furan-2-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
PubChem CID104845531
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name3-(furan-2-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccccc1)C(C)Cc1ccco1
InChIInChI=1S/C17H23NO/c1-3-11-18-17(15-8-5-4-6-9-15)14(2)13-16-10-7-12-19-16/h4-10,12,14,17-18H,3,11,13H2,1-2H3
InChIKeyATMHQAVNMPUOMH-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(furan-3-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845575
3-(furan-2-yl)-1-methoxy-1-phenyl-N-propylpropan-2-amine
CID 116773231
3-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845559
N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62618719
N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 83176005
2-methyl-1-phenyl-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 104845591
N-ethyl-4-(furan-2-yl)-3-methylbutan-2-amine
CID 62999037
1-(furan-2-yl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 83175814
2,4-dimethyl-1-phenyl-N-propylheptan-1-amine
CID 104845594
N-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83176193
N-[2-(furan-2-yl)-1-pyridin-4-ylethyl]propan-1-amine
CID 83175594
N-[2-(furan-2-ylmethylsulfanyl)-1-phenylethyl]propan-1-amine
CID 64609476

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine?
The IUPAC name of 3-(furan-2-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine (CID 104845531) is 3-(furan-2-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(furan-2-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(furan-2-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine is CCCNC(c1ccccc1)C(C)Cc1ccco1.
What is the InChIKey of 3-(furan-2-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine?
The InChIKey is ATMHQAVNMPUOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-11-18-17(15-8-5-4-6-9-15)14(2)13-16-10-7-12-19-16/h4-10,12,14,17-18H,3,11,13H2,1-2H3.
What are the key properties of 3-(furan-2-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine?
3-(furan-2-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 4.20, 7 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-methyl-1-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 104845531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).