2-N-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine

C11H16ClFN2 — CID 115131719

IUPAC2-N-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine
SMILESCc1cc(Cl)c(NC(C)(C)CN)cc1F
InChIInChI=1S/C11H16ClFN2/c1-7-4-8(12)10(5-9(7)13)15-11(2,3)6-14/h4-5,15H,6,14H2,1-3H3
InChIKeyLNVOPIWBAQONHO-UHFFFAOYSA-N
MW230.71 g/mol
LogP2.94
Rot. Bonds3

About 2-N-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine

2-N-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine (PubChem CID 115131719) has the molecular formula C11H16ClFN2 and a molecular weight of 230.71 g/mol. Its IUPAC name is 2-N-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine
PubChem CID115131719
Molecular FormulaC11H16ClFN2
Molecular Weight230.71 g/mol
Exact Mass230.10
IUPAC Name2-N-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine
SMILESCc1cc(Cl)c(NC(C)(C)CN)cc1F
InChIInChI=1S/C11H16ClFN2/c1-7-4-8(12)10(5-9(7)13)15-11(2,3)6-14/h4-5,15H,6,14H2,1-3H3
InChIKeyLNVOPIWBAQONHO-UHFFFAOYSA-N
XLogP2.94
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.71
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2-chloro-5-fluoro-4-methylphenyl)methanediamine
CID 115225495
2-(2-chloro-5-fluoro-4-methylphenyl)-2,2-difluoroethanamine
CID 116838633
3-(2-chloro-5-fluoro-4-methylanilino)propan-1-ol
CID 115216703
2-(2-chloro-5-fluoro-4-methylphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853588
ethyl 2-(2-chloro-5-fluoro-4-methylanilino)acetate
CID 115257255
2-N-(2-chloro-4-methoxyphenyl)-2-methylpropane-1,2-diamine
CID 115131658
N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 115178606
1-(2-chloro-5-fluoro-4-methylphenyl)-2,2-dimethylbutane-1,4-diamine
CID 116934564
4-amino-1-(2-chloro-5-fluoro-4-methylphenyl)-2,2-dimethylbutan-1-one
CID 116916425
2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide
CID 115161861
N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxyacetamide
CID 115139648
N-(1-amino-2-methylpropan-2-yl)-2,5-difluoro-4-methylbenzenesulfonamide
CID 86780656

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine (CID 115131719) is 2-N-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine is Cc1cc(Cl)c(NC(C)(C)CN)cc1F.
What is the InChIKey of 2-N-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine?
The InChIKey is LNVOPIWBAQONHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2/c1-7-4-8(12)10(5-9(7)13)15-11(2,3)6-14/h4-5,15H,6,14H2,1-3H3.
What are the key properties of 2-N-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine?
2-N-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine has a molecular weight of 230.71 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 115131719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).