N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methoxy-3-methylaniline

C16H19FN2O — CID 115938694

IUPACN-[1-(5-fluoro-2-pyridinyl)propyl]-4-methoxy-3-methylaniline
SMILESCCC(Nc1ccc(OC)c(C)c1)c1ccc(F)cn1
InChIInChI=1S/C16H19FN2O/c1-4-14(15-7-5-12(17)10-18-15)19-13-6-8-16(20-3)11(2)9-13/h5-10,14,19H,4H2,1-3H3
InChIKeyCRCUMIOQQZNCLZ-UHFFFAOYSA-N
MW274.34 g/mol
LogP4.10
Rot. Bonds5

About N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methoxy-3-methylaniline

N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methoxy-3-methylaniline (PubChem CID 115938694) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methoxy-3-methylaniline.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)propyl]-4-methoxy-3-methylaniline
PubChem CID115938694
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)propyl]-4-methoxy-3-methylaniline
SMILESCCC(Nc1ccc(OC)c(C)c1)c1ccc(F)cn1
InChIInChI=1S/C16H19FN2O/c1-4-14(15-7-5-12(17)10-18-15)19-13-6-8-16(20-3)11(2)9-13/h5-10,14,19H,4H2,1-3H3
InChIKeyCRCUMIOQQZNCLZ-UHFFFAOYSA-N
XLogP4.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 54.10
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

5-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methoxyphenol
CID 115938609
N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methoxy-3-methylaniline
CID 83118189
4-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-methylaniline
CID 112582832
1-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115938792
3-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582851
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline
CID 83117825
[3-[1-(5-fluoro-2-pyridinyl)propylamino]phenyl]methanol
CID 112582984
N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylsulfonylaniline
CID 115938417
1-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 115938501
2-[4-[1-(5-fluoro-2-pyridinyl)propylamino]phenoxy]cyclohexan-1-ol
CID 110011606
N-(2,2-dimethoxyethyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 112583006
N-[1-(3-chlorophenyl)propyl]-4-methoxy-3-methylaniline
CID 63455500

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methoxy-3-methylaniline?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methoxy-3-methylaniline (CID 115938694) is N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methoxy-3-methylaniline.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methoxy-3-methylaniline?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methoxy-3-methylaniline is CCC(Nc1ccc(OC)c(C)c1)c1ccc(F)cn1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methoxy-3-methylaniline?
The InChIKey is CRCUMIOQQZNCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-4-14(15-7-5-12(17)10-18-15)19-13-6-8-16(20-3)11(2)9-13/h5-10,14,19H,4H2,1-3H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methoxy-3-methylaniline?
N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methoxy-3-methylaniline has a molecular weight of 274.34 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methoxy-3-methylaniline is sourced from PubChem (CID 115938694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).