2-chloro-4-N-[(4-fluoro-3-methylphenyl)methyl]-6-methylpyridine-3,4-diamine

C14H15ClFN3 — CID 151014495

IUPAC2-chloro-4-N-[(4-fluoro-3-methylphenyl)methyl]-6-methylpyridine-3,4-diamine
SMILESCc1cc(NCc2ccc(F)c(C)c2)c(N)c(Cl)n1
InChIInChI=1S/C14H15ClFN3/c1-8-5-10(3-4-11(8)16)7-18-12-6-9(2)19-14(15)13(12)17/h3-6H,7,17H2,1-2H3,(H,18,19)
InChIKeyLWUAYZDSRIMJFA-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.69
Rot. Bonds3

About 2-chloro-4-N-[(4-fluoro-3-methylphenyl)methyl]-6-methylpyridine-3,4-diamine

2-chloro-4-N-[(4-fluoro-3-methylphenyl)methyl]-6-methylpyridine-3,4-diamine (PubChem CID 151014495) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 2-chloro-4-N-[(4-fluoro-3-methylphenyl)methyl]-6-methylpyridine-3,4-diamine.

Molecular Properties

Compound Name2-chloro-4-N-[(4-fluoro-3-methylphenyl)methyl]-6-methylpyridine-3,4-diamine
PubChem CID151014495
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name2-chloro-4-N-[(4-fluoro-3-methylphenyl)methyl]-6-methylpyridine-3,4-diamine
SMILESCc1cc(NCc2ccc(F)c(C)c2)c(N)c(Cl)n1
InChIInChI=1S/C14H15ClFN3/c1-8-5-10(3-4-11(8)16)7-18-12-6-9(2)19-14(15)13(12)17/h3-6H,7,17H2,1-2H3,(H,18,19)
InChIKeyLWUAYZDSRIMJFA-UHFFFAOYSA-N
XLogP3.69
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62120578
2-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-3-methylaniline
CID 114251741
2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline
CID 103585043
3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylaniline
CID 63419437
2,6-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62121783
N-[(4-fluoro-3-methylphenyl)methyl]-4-iodo-2-methylaniline
CID 63440747
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 63419097
2-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-5-(trifluoromethyl)aniline
CID 63417776
5-chloro-4-[(4-fluoro-3-methylphenyl)methylamino]-1H-pyridazin-6-one
CID 46682264
4-chloro-1-N-[(3,4-dimethylphenyl)methyl]benzene-1,2-diamine
CID 115125234
2-chloro-4-N-[(3,4-difluorophenyl)methyl]-5-methylbenzene-1,4-diamine
CID 115554741
5-chloro-N-[(4-fluoro-3-methylphenyl)methyl]quinolin-8-amine
CID 63448788

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-[(4-fluoro-3-methylphenyl)methyl]-6-methylpyridine-3,4-diamine?
The IUPAC name of 2-chloro-4-N-[(4-fluoro-3-methylphenyl)methyl]-6-methylpyridine-3,4-diamine (CID 151014495) is 2-chloro-4-N-[(4-fluoro-3-methylphenyl)methyl]-6-methylpyridine-3,4-diamine.
What is the SMILES notation for 2-chloro-4-N-[(4-fluoro-3-methylphenyl)methyl]-6-methylpyridine-3,4-diamine?
The canonical SMILES for 2-chloro-4-N-[(4-fluoro-3-methylphenyl)methyl]-6-methylpyridine-3,4-diamine is Cc1cc(NCc2ccc(F)c(C)c2)c(N)c(Cl)n1.
What is the InChIKey of 2-chloro-4-N-[(4-fluoro-3-methylphenyl)methyl]-6-methylpyridine-3,4-diamine?
The InChIKey is LWUAYZDSRIMJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-8-5-10(3-4-11(8)16)7-18-12-6-9(2)19-14(15)13(12)17/h3-6H,7,17H2,1-2H3,(H,18,19).
What are the key properties of 2-chloro-4-N-[(4-fluoro-3-methylphenyl)methyl]-6-methylpyridine-3,4-diamine?
2-chloro-4-N-[(4-fluoro-3-methylphenyl)methyl]-6-methylpyridine-3,4-diamine has a molecular weight of 279.75 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-[(4-fluoro-3-methylphenyl)methyl]-6-methylpyridine-3,4-diamine is sourced from PubChem (CID 151014495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).