N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoroaniline

C16H18FNO2 — CID 43194273

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoroaniline
SMILESCOc1ccc(C(C)Nc2cccc(F)c2)cc1OC
InChIInChI=1S/C16H18FNO2/c1-11(18-14-6-4-5-13(17)10-14)12-7-8-15(19-2)16(9-12)20-3/h4-11,18H,1-3H3
InChIKeyJEIQMJJMVMDHHS-UHFFFAOYSA-N
MW275.32 g/mol
LogP4.02
Rot. Bonds5

About N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoroaniline

N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoroaniline (PubChem CID 43194273) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoroaniline
PubChem CID43194273
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoroaniline
SMILESCOc1ccc(C(C)Nc2cccc(F)c2)cc1OC
InChIInChI=1S/C16H18FNO2/c1-11(18-14-6-4-5-13(17)10-14)12-7-8-15(19-2)16(9-12)20-3/h4-11,18H,1-3H3
InChIKeyJEIQMJJMVMDHHS-UHFFFAOYSA-N
XLogP4.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxyaniline
CID 46021712
3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43178604
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43190042
N-[1-(4-chlorophenyl)ethyl]-3-fluoroaniline
CID 43093632
3,4-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]aniline
CID 43104722
N-[1-(3,4-dimethoxyphenyl)ethyl]-6-fluoropyridin-2-amine
CID 115591099
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3,4-dimethoxyaniline
CID 43108298
2-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]-5-fluoroaniline
CID 107633267
N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43104035
N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
CID 43104012
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoroaniline
CID 43099103
3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylaniline
CID 43107503

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoroaniline?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoroaniline (CID 43194273) is N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoroaniline.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoroaniline?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoroaniline is COc1ccc(C(C)Nc2cccc(F)c2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoroaniline?
The InChIKey is JEIQMJJMVMDHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-11(18-14-6-4-5-13(17)10-14)12-7-8-15(19-2)16(9-12)20-3/h4-11,18H,1-3H3.
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoroaniline?
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoroaniline has a molecular weight of 275.32 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoroaniline is sourced from PubChem (CID 43194273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).