3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline

C16H18FNO2 — CID 43380564

IUPAC3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline
SMILESCOc1cccc(C(C)Nc2ccc(OC)c(F)c2)c1
InChIInChI=1S/C16H18FNO2/c1-11(12-5-4-6-14(9-12)19-2)18-13-7-8-16(20-3)15(17)10-13/h4-11,18H,1-3H3
InChIKeyVTNTUCONRPDBJS-UHFFFAOYSA-N
MW275.32 g/mol
LogP4.02
Rot. Bonds5

About 3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline

3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline (PubChem CID 43380564) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline
PubChem CID43380564
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline
SMILESCOc1cccc(C(C)Nc2ccc(OC)c(F)c2)c1
InChIInChI=1S/C16H18FNO2/c1-11(12-5-4-6-14(9-12)19-2)18-13-7-8-16(20-3)15(17)10-13/h4-11,18H,1-3H3
InChIKeyVTNTUCONRPDBJS-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-4-methoxy-N-(1-pyridin-3-ylethyl)aniline
CID 43380580
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43108106
N-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline
CID 43196392
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43190042
N-[1-(3-chlorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114838027
N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophen-5-amine
CID 43687855
1-N-[1-(3-methoxyphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43616993
[2-ethoxy-5-[1-(3-methoxyphenyl)ethylamino]phenyl]methanol
CID 110897363
3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43196055
2,6-difluoro-N-[1-(3-methoxyphenyl)ethyl]-3-methylaniline
CID 82818464
3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-methoxyaniline
CID 43100313
2-fluoro-N-[1-(3-methoxyphenyl)ethyl]-5-methylaniline
CID 43122780

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline?
The IUPAC name of 3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline (CID 43380564) is 3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline is COc1cccc(C(C)Nc2ccc(OC)c(F)c2)c1.
What is the InChIKey of 3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline?
The InChIKey is VTNTUCONRPDBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-11(12-5-4-6-14(9-12)19-2)18-13-7-8-16(20-3)15(17)10-13/h4-11,18H,1-3H3.
What are the key properties of 3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline?
3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline 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 3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 43380564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).