1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpentan-1-amine

C16H26FNO2 — CID 116719391

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(OC)c(F)c1)C(CCC)OC
InChIInChI=1S/C16H26FNO2/c1-5-7-15(20-4)16(18-10-6-2)12-8-9-14(19-3)13(17)11-12/h8-9,11,15-16,18H,5-7,10H2,1-4H3
InChIKeyKNIWVANHDSCNIC-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.69
Rot. Bonds9

About 1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpentan-1-amine

1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpentan-1-amine (PubChem CID 116719391) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpentan-1-amine
PubChem CID116719391
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(OC)c(F)c1)C(CCC)OC
InChIInChI=1S/C16H26FNO2/c1-5-7-15(20-4)16(18-10-6-2)12-8-9-14(19-3)13(17)11-12/h8-9,11,15-16,18H,5-7,10H2,1-4H3
InChIKeyKNIWVANHDSCNIC-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719516
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpropan-1-amine
CID 79617446
2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine
CID 116719309
1-(3,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine
CID 116718368
2-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 116719339
1-(3-fluoro-5-methylphenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719557
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849720
1-(2,6-difluorophenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719530
1-(3-ethylphenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719527
4-(3-fluoro-4-methoxyphenyl)-N-propylpentan-2-amine
CID 64720986
3-(3-fluoro-4-methoxyphenyl)-3-(propylamino)propanoic acid
CID 65234362
[1-(3,4-dimethoxyphenyl)-2-methoxypentyl]hydrazine
CID 105271639

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpentan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpentan-1-amine (CID 116719391) is 1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpentan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpentan-1-amine is CCCNC(c1ccc(OC)c(F)c1)C(CCC)OC.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpentan-1-amine?
The InChIKey is KNIWVANHDSCNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-5-7-15(20-4)16(18-10-6-2)12-8-9-14(19-3)13(17)11-12/h8-9,11,15-16,18H,5-7,10H2,1-4H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpentan-1-amine?
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpentan-1-amine has a molecular weight of 283.39 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpentan-1-amine is sourced from PubChem (CID 116719391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).