1-N-tert-butyl-4-fluoro-1-N-methylbenzene-1,2-diamine

C11H17FN2 — CID 115124740

IUPAC1-N-tert-butyl-4-fluoro-1-N-methylbenzene-1,2-diamine
SMILESCN(c1ccc(F)cc1N)C(C)(C)C
InChIInChI=1S/C11H17FN2/c1-11(2,3)14(4)10-6-5-8(12)7-9(10)13/h5-7H,13H2,1-4H3
InChIKeyJXMDIAQDWAMZMT-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.64
Rot. Bonds1

About 1-N-tert-butyl-4-fluoro-1-N-methylbenzene-1,2-diamine

1-N-tert-butyl-4-fluoro-1-N-methylbenzene-1,2-diamine (PubChem CID 115124740) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-N-tert-butyl-4-fluoro-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-4-fluoro-1-N-methylbenzene-1,2-diamine
PubChem CID115124740
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name1-N-tert-butyl-4-fluoro-1-N-methylbenzene-1,2-diamine
SMILESCN(c1ccc(F)cc1N)C(C)(C)C
InChIInChI=1S/C11H17FN2/c1-11(2,3)14(4)10-6-5-8(12)7-9(10)13/h5-7H,13H2,1-4H3
InChIKeyJXMDIAQDWAMZMT-UHFFFAOYSA-N
XLogP2.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-1-N-methyl-1-N-(2-methylbutan-2-yl)benzene-1,2-diamine
CID 63981611
2-[amino(ethyl)amino]-5-fluoroaniline
CID 134239399
1-N-(4-ethylphenyl)-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 62001859
1-N-tert-butyl-1-N,2-dimethylbenzene-1,4-diamine
CID 131048042
1-N,1-N-bis(ethenyl)-4-fluorobenzene-1,2-diamine
CID 166090232
4-fluoro-1-N-methyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 28798518
1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 61414834
1-N-ethyl-4-fluoro-1-N-propylbenzene-1,2-diamine
CID 43268432
1-N-(4-bromothiophen-2-yl)-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 115124770
1-N-butan-2-yl-1-N-ethyl-4-fluorobenzene-1,2-diamine
CID 43274256
2,5-difluoroaniline;ethane
CID 143759951
4-fluoro-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
CID 54980798

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-4-fluoro-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-4-fluoro-1-N-methylbenzene-1,2-diamine (CID 115124740) is 1-N-tert-butyl-4-fluoro-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-4-fluoro-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-4-fluoro-1-N-methylbenzene-1,2-diamine is CN(c1ccc(F)cc1N)C(C)(C)C.
What is the InChIKey of 1-N-tert-butyl-4-fluoro-1-N-methylbenzene-1,2-diamine?
The InChIKey is JXMDIAQDWAMZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-11(2,3)14(4)10-6-5-8(12)7-9(10)13/h5-7H,13H2,1-4H3.
What are the key properties of 1-N-tert-butyl-4-fluoro-1-N-methylbenzene-1,2-diamine?
1-N-tert-butyl-4-fluoro-1-N-methylbenzene-1,2-diamine has a molecular weight of 196.27 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-4-fluoro-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 115124740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).