3-fluoro-4-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline

C14H14FN3 — CID 6295470

IUPAC3-fluoro-4-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline
SMILESC/C(=N/Nc1ccc(C)c(F)c1)c1ccncc1
InChIInChI=1S/C14H14FN3/c1-10-3-4-13(9-14(10)15)18-17-11(2)12-5-7-16-8-6-12/h3-9,18H,1-2H3/b17-11-
InChIKeyCYGFTPRRSWFUAD-BOPFTXTBSA-N
MW243.28 g/mol
LogP3.37
Rot. Bonds3

About 3-fluoro-4-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline

3-fluoro-4-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline (PubChem CID 6295470) has the molecular formula C14H14FN3 and a molecular weight of 243.28 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline
PubChem CID6295470
Molecular FormulaC14H14FN3
Molecular Weight243.28 g/mol
Exact Mass243.12
IUPAC Name3-fluoro-4-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline
SMILESC/C(=N/Nc1ccc(C)c(F)c1)c1ccncc1
InChIInChI=1S/C14H14FN3/c1-10-3-4-13(9-14(10)15)18-17-11(2)12-5-7-16-8-6-12/h3-9,18H,1-2H3/b17-11-
InChIKeyCYGFTPRRSWFUAD-BOPFTXTBSA-N
XLogP3.37
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-iodo-N-(1-pyridin-4-ylethylideneamino)aniline
CID 72535739
N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-fluoro-4-methylaniline
CID 7346934
N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-fluoro-4-methylaniline
CID 6037771
2-[(3-fluoro-4-methylphenyl)hydrazinylidene]propanedinitrile
CID 169337336
4-methylsulfonyl-N-[(E)-1-pyridin-4-ylethylideneamino]aniline
CID 97311336
2-N-(3-fluoro-4-methoxyphenyl)-4-N,6-N-bis(1-pyridin-4-ylethylideneamino)pyrimidine-2,4,6-triamine
CID 139976557
2,4,6-trichloro-N-(1-pyridin-4-ylethylideneamino)aniline
CID 5006880
N-[(E)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide
CID 25237502
N-[(Z)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide
CID 39818795
1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methylphenyl)thiourea
CID 17383573
4-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730089
(3-fluoro-4-methylphenyl)thiourea
CID 7131234

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline?
The IUPAC name of 3-fluoro-4-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline (CID 6295470) is 3-fluoro-4-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline.
What is the SMILES notation for 3-fluoro-4-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline?
The canonical SMILES for 3-fluoro-4-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline is C/C(=N/Nc1ccc(C)c(F)c1)c1ccncc1.
What is the InChIKey of 3-fluoro-4-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline?
The InChIKey is CYGFTPRRSWFUAD-BOPFTXTBSA-N. The full InChI is InChI=1S/C14H14FN3/c1-10-3-4-13(9-14(10)15)18-17-11(2)12-5-7-16-8-6-12/h3-9,18H,1-2H3/b17-11-.
What are the key properties of 3-fluoro-4-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline?
3-fluoro-4-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline has a molecular weight of 243.28 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline is sourced from PubChem (CID 6295470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).