N-[4-[4-(2-fluoroethoxymethyl)phenyl]but-3-yn-2-yl]-3-methylpyridin-2-amine

C19H21FN2O — CID 155197803

IUPACN-[4-[4-(2-fluoroethoxymethyl)phenyl]but-3-yn-2-yl]-3-methylpyridin-2-amine
SMILESCc1cccnc1NC(C)C#Cc1ccc(COCCF)cc1
InChIInChI=1S/C19H21FN2O/c1-15-4-3-12-21-19(15)22-16(2)5-6-17-7-9-18(10-8-17)14-23-13-11-20/h3-4,7-10,12,16H,11,13-14H2,1-2H3,(H,21,22)
InChIKeyYHINLGBZODLPBI-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.73
Rot. Bonds6

About N-[4-[4-(2-fluoroethoxymethyl)phenyl]but-3-yn-2-yl]-3-methylpyridin-2-amine

N-[4-[4-(2-fluoroethoxymethyl)phenyl]but-3-yn-2-yl]-3-methylpyridin-2-amine (PubChem CID 155197803) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[4-[4-(2-fluoroethoxymethyl)phenyl]but-3-yn-2-yl]-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[4-[4-(2-fluoroethoxymethyl)phenyl]but-3-yn-2-yl]-3-methylpyridin-2-amine
PubChem CID155197803
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC NameN-[4-[4-(2-fluoroethoxymethyl)phenyl]but-3-yn-2-yl]-3-methylpyridin-2-amine
SMILESCc1cccnc1NC(C)C#Cc1ccc(COCCF)cc1
InChIInChI=1S/C19H21FN2O/c1-15-4-3-12-21-19(15)22-16(2)5-6-17-7-9-18(10-8-17)14-23-13-11-20/h3-4,7-10,12,16H,11,13-14H2,1-2H3,(H,21,22)
InChIKeyYHINLGBZODLPBI-UHFFFAOYSA-N
XLogP3.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3-methyl-2-pyridinyl)amino]propane-1,3-diol
CID 65314837
4-[[(3-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 60704932
3-methyl-N-(1-phenylpentyl)pyridin-2-amine
CID 134824082
methyl 4-methyl-2-[(3-methyl-2-pyridinyl)amino]pentanoate
CID 62254768
N-[2-[(3-methyl-2-pyridinyl)methoxy]ethyl]propan-2-amine
CID 112650766
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-4-[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethynyl]benzene
CID 102087372
methyl 3-hydroxy-2-[(3-methyl-2-pyridinyl)amino]propanoate
CID 55211793
3-methyl-N-(3-methylbutyl)pyridin-2-amine
CID 60960877
N-(dicyclopropylmethyl)-3-methylpyridin-2-amine
CID 62253161
3-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine
CID 63966599
3-methyl-N-[1-(4-methylphenyl)heptyl]pyridin-2-amine
CID 86203051
2-methyl-1-[(3-methyl-2-pyridinyl)amino]propan-2-ol
CID 65109200

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-fluoroethoxymethyl)phenyl]but-3-yn-2-yl]-3-methylpyridin-2-amine?
The IUPAC name of N-[4-[4-(2-fluoroethoxymethyl)phenyl]but-3-yn-2-yl]-3-methylpyridin-2-amine (CID 155197803) is N-[4-[4-(2-fluoroethoxymethyl)phenyl]but-3-yn-2-yl]-3-methylpyridin-2-amine.
What is the SMILES notation for N-[4-[4-(2-fluoroethoxymethyl)phenyl]but-3-yn-2-yl]-3-methylpyridin-2-amine?
The canonical SMILES for N-[4-[4-(2-fluoroethoxymethyl)phenyl]but-3-yn-2-yl]-3-methylpyridin-2-amine is Cc1cccnc1NC(C)C#Cc1ccc(COCCF)cc1.
What is the InChIKey of N-[4-[4-(2-fluoroethoxymethyl)phenyl]but-3-yn-2-yl]-3-methylpyridin-2-amine?
The InChIKey is YHINLGBZODLPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-15-4-3-12-21-19(15)22-16(2)5-6-17-7-9-18(10-8-17)14-23-13-11-20/h3-4,7-10,12,16H,11,13-14H2,1-2H3,(H,21,22).
What are the key properties of N-[4-[4-(2-fluoroethoxymethyl)phenyl]but-3-yn-2-yl]-3-methylpyridin-2-amine?
N-[4-[4-(2-fluoroethoxymethyl)phenyl]but-3-yn-2-yl]-3-methylpyridin-2-amine has a molecular weight of 312.39 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-fluoroethoxymethyl)phenyl]but-3-yn-2-yl]-3-methylpyridin-2-amine is sourced from PubChem (CID 155197803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).