3-fluoro-4-methoxy-N-(1-pyridin-3-ylethyl)aniline

C14H15FN2O — CID 43380580

IUPAC3-fluoro-4-methoxy-N-(1-pyridin-3-ylethyl)aniline
SMILESCOc1ccc(NC(C)c2cccnc2)cc1F
InChIInChI=1S/C14H15FN2O/c1-10(11-4-3-7-16-9-11)17-12-5-6-14(18-2)13(15)8-12/h3-10,17H,1-2H3
InChIKeyCDAFALXBLZPLQZ-UHFFFAOYSA-N
MW246.29 g/mol
LogP3.40
Rot. Bonds4

About 3-fluoro-4-methoxy-N-(1-pyridin-3-ylethyl)aniline

3-fluoro-4-methoxy-N-(1-pyridin-3-ylethyl)aniline (PubChem CID 43380580) has the molecular formula C14H15FN2O and a molecular weight of 246.29 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(1-pyridin-3-ylethyl)aniline.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(1-pyridin-3-ylethyl)aniline
PubChem CID43380580
Molecular FormulaC14H15FN2O
Molecular Weight246.29 g/mol
Exact Mass246.12
IUPAC Name3-fluoro-4-methoxy-N-(1-pyridin-3-ylethyl)aniline
SMILESCOc1ccc(NC(C)c2cccnc2)cc1F
InChIInChI=1S/C14H15FN2O/c1-10(11-4-3-7-16-9-11)17-12-5-6-14(18-2)13(15)8-12/h3-10,17H,1-2H3
InChIKeyCDAFALXBLZPLQZ-UHFFFAOYSA-N
XLogP3.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43380564
3,4,5-trifluoro-N-(1-pyridin-3-ylethyl)aniline
CID 62810175
2-fluoro-4-(1-pyridin-3-ylethylamino)benzenecarbothioamide
CID 115367935
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,4-dimethoxyaniline
CID 103930916
N-[2-fluoro-5-(1-pyridin-3-ylethylamino)phenyl]methanesulfonamide
CID 43731864
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43190042
4-bromo-2-methoxy-6-methyl-N-(1-pyridin-3-ylethyl)aniline
CID 54864197
2-fluoro-4,5-dimethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 35312001
2-fluoro-N-(1-pyridin-3-ylethyl)aniline
CID 43194891
3-N,3-N,4-trimethyl-1-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine
CID 115377049
1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81407566
2-methoxy-5-nitro-N-(1-pyridin-3-ylethyl)aniline
CID 43717789

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(1-pyridin-3-ylethyl)aniline?
The IUPAC name of 3-fluoro-4-methoxy-N-(1-pyridin-3-ylethyl)aniline (CID 43380580) is 3-fluoro-4-methoxy-N-(1-pyridin-3-ylethyl)aniline.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(1-pyridin-3-ylethyl)aniline?
The canonical SMILES for 3-fluoro-4-methoxy-N-(1-pyridin-3-ylethyl)aniline is COc1ccc(NC(C)c2cccnc2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-(1-pyridin-3-ylethyl)aniline?
The InChIKey is CDAFALXBLZPLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-10(11-4-3-7-16-9-11)17-12-5-6-14(18-2)13(15)8-12/h3-10,17H,1-2H3.
What are the key properties of 3-fluoro-4-methoxy-N-(1-pyridin-3-ylethyl)aniline?
3-fluoro-4-methoxy-N-(1-pyridin-3-ylethyl)aniline has a molecular weight of 246.29 g/mol, XLogP of 3.40, 4 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-pyridin-3-ylethyl)aniline is sourced from PubChem (CID 43380580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).