1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine

C17H22FNO — CID 105143097

IUPAC1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccco1)c1ccc(F)c(C)c1
InChIInChI=1S/C17H22FNO/c1-3-10-19-17(9-7-15-5-4-11-20-15)14-6-8-16(18)13(2)12-14/h4-6,8,11-12,17,19H,3,7,9-10H2,1-2H3
InChIKeyRTNQNACPKLKKEN-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.40
Rot. Bonds7

About 1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine

1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine (PubChem CID 105143097) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
PubChem CID105143097
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccco1)c1ccc(F)c(C)c1
InChIInChI=1S/C17H22FNO/c1-3-10-19-17(9-7-15-5-4-11-20-15)14-6-8-16(18)13(2)12-14/h4-6,8,11-12,17,19H,3,7,9-10H2,1-2H3
InChIKeyRTNQNACPKLKKEN-UHFFFAOYSA-N
XLogP4.40
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83175003
1-(3,5-dimethylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105097322
1-(3,4-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105140242
3-(furan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 105146576
1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-ol
CID 105094003
1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63413988
4,4,4-trifluoro-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 64565153
1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105397187
1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161130
[1-(3,4-dimethylphenyl)-3-(furan-2-yl)propyl]hydrazine
CID 105300181
N-ethyl-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105087868
N-[2-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 103546676

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine (CID 105143097) is 1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine is CCCNC(CCc1ccco1)c1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine?
The InChIKey is RTNQNACPKLKKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-3-10-19-17(9-7-15-5-4-11-20-15)14-6-8-16(18)13(2)12-14/h4-6,8,11-12,17,19H,3,7,9-10H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine?
1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 105143097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).