N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine

C12H18FNO — CID 43493752

IUPACN-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
SMILESCCNC(CC)c1ccc(OC)c(F)c1
InChIInChI=1S/C12H18FNO/c1-4-11(14-5-2)9-6-7-12(15-3)10(13)8-9/h6-8,11,14H,4-5H2,1-3H3
InChIKeyAEORTZBBVJDQEI-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.89
Rot. Bonds5

About N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine

N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine (PubChem CID 43493752) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
PubChem CID43493752
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC NameN-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
SMILESCCNC(CC)c1ccc(OC)c(F)c1
InChIInChI=1S/C12H18FNO/c1-4-11(14-5-2)9-6-7-12(15-3)10(13)8-9/h6-8,11,14H,4-5H2,1-3H3
InChIKeyAEORTZBBVJDQEI-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
3-(ethylamino)-3-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 65233760
3-cyclopropyl-N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 104995042
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylbutan-1-amine
CID 115782357
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556253
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43493755
2,2-diethoxy-N-ethyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 79495027
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-phenylethanamine
CID 81284854
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 115860982
4-butan-2-yl-2-fluoro-1-methoxybenzene
CID 126760207
1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 62066206
2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol
CID 61048531

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine?
The IUPAC name of N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine (CID 43493752) is N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine is CCNC(CC)c1ccc(OC)c(F)c1.
What is the InChIKey of N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine?
The InChIKey is AEORTZBBVJDQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-4-11(14-5-2)9-6-7-12(15-3)10(13)8-9/h6-8,11,14H,4-5H2,1-3H3.
What are the key properties of N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine?
N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine has a molecular weight of 211.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 43493752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).