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

C14H22FNO2 — CID 79617446

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(OC)c(F)c1)C(C)OC
InChIInChI=1S/C14H22FNO2/c1-5-8-16-14(10(2)17-3)11-6-7-13(18-4)12(15)9-11/h6-7,9-10,14,16H,5,8H2,1-4H3
InChIKeyWRVVVMJDMPJRNS-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.91
Rot. Bonds7

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

1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpropan-1-amine (PubChem CID 79617446) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpropan-1-amine
PubChem CID79617446
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(OC)c(F)c1)C(C)OC
InChIInChI=1S/C14H22FNO2/c1-5-8-16-14(10(2)17-3)11-6-7-13(18-4)12(15)9-11/h6-7,9-10,14,16H,5,8H2,1-4H3
InChIKeyWRVVVMJDMPJRNS-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719391
4-(3-fluoro-4-methoxyphenyl)-N-propylpentan-2-amine
CID 64720986
1-(3,5-difluorophenyl)-2-methoxy-N-propylpropan-1-amine
CID 79616365
2-methoxy-1-naphthalen-2-yl-N-propylpropan-1-amine
CID 79616716
1-(3-fluoro-4-methoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 79089310
N-[1-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 65136905
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849720
3-(3-fluoro-4-methoxyphenyl)-3-(propylamino)propanoic acid
CID 65234362
2,2-diethoxy-N-ethyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 79495027
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044550
N-[(3-fluoro-4-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 43498303
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-propylbutan-2-amine
CID 64532602

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpropan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpropan-1-amine (CID 79617446) is 1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpropan-1-amine is CCCNC(c1ccc(OC)c(F)c1)C(C)OC.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpropan-1-amine?
The InChIKey is WRVVVMJDMPJRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-5-8-16-14(10(2)17-3)11-6-7-13(18-4)12(15)9-11/h6-7,9-10,14,16H,5,8H2,1-4H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpropan-1-amine?
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpropan-1-amine has a molecular weight of 255.33 g/mol, XLogP of 2.91, 7 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-propylpropan-1-amine is sourced from PubChem (CID 79617446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).