1-N-(4-fluoro-2-methylphenyl)-2-methylbenzene-1,4-diamine

C14H15FN2 — CID 43165593

IUPAC1-N-(4-fluoro-2-methylphenyl)-2-methylbenzene-1,4-diamine
SMILESCc1cc(N)ccc1Nc1ccc(F)cc1C
InChIInChI=1S/C14H15FN2/c1-9-7-11(15)3-5-13(9)17-14-6-4-12(16)8-10(14)2/h3-8,17H,16H2,1-2H3
InChIKeyOOWZHXVQQVOQHZ-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.77
Rot. Bonds2

About 1-N-(4-fluoro-2-methylphenyl)-2-methylbenzene-1,4-diamine

1-N-(4-fluoro-2-methylphenyl)-2-methylbenzene-1,4-diamine (PubChem CID 43165593) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is 1-N-(4-fluoro-2-methylphenyl)-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(4-fluoro-2-methylphenyl)-2-methylbenzene-1,4-diamine
PubChem CID43165593
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name1-N-(4-fluoro-2-methylphenyl)-2-methylbenzene-1,4-diamine
SMILESCc1cc(N)ccc1Nc1ccc(F)cc1C
InChIInChI=1S/C14H15FN2/c1-9-7-11(15)3-5-13(9)17-14-6-4-12(16)8-10(14)2/h3-8,17H,16H2,1-2H3
InChIKeyOOWZHXVQQVOQHZ-UHFFFAOYSA-N
XLogP3.77
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-methylanilino)-5-fluorobenzonitrile
CID 82014840
methyl 5-amino-2-(4-fluoro-2-methylanilino)benzoate
CID 61306561
3,5-difluoro-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine
CID 113325134
2-N-(4-fluoro-2-methylphenyl)-3-methylpyridine-2,5-diamine
CID 62477222
4-bromo-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine
CID 29067383
1-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine
CID 43165590
3-N-(2,5-difluorophenyl)-4-methylbenzene-1,3-diamine
CID 55091161
(4-fluoro-2-methylphenyl)hydrazine;hydrochloride
CID 47002129
6-N-(4-fluoro-2-methylphenyl)isoquinoline-5,6-diamine
CID 106947584
4-fluoro-1-N-(4-fluoro-2-methylphenyl)-5-methoxybenzene-1,2-diamine
CID 63599579
3-amino-4-(4-fluoro-2-methylanilino)benzoic acid
CID 54888083
1-N-(4-fluoro-2-methylphenyl)-4-nitrobenzene-1,2-diamine
CID 55079971

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-fluoro-2-methylphenyl)-2-methylbenzene-1,4-diamine?
The IUPAC name of 1-N-(4-fluoro-2-methylphenyl)-2-methylbenzene-1,4-diamine (CID 43165593) is 1-N-(4-fluoro-2-methylphenyl)-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(4-fluoro-2-methylphenyl)-2-methylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(4-fluoro-2-methylphenyl)-2-methylbenzene-1,4-diamine is Cc1cc(N)ccc1Nc1ccc(F)cc1C.
What is the InChIKey of 1-N-(4-fluoro-2-methylphenyl)-2-methylbenzene-1,4-diamine?
The InChIKey is OOWZHXVQQVOQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-9-7-11(15)3-5-13(9)17-14-6-4-12(16)8-10(14)2/h3-8,17H,16H2,1-2H3.
What are the key properties of 1-N-(4-fluoro-2-methylphenyl)-2-methylbenzene-1,4-diamine?
1-N-(4-fluoro-2-methylphenyl)-2-methylbenzene-1,4-diamine has a molecular weight of 230.29 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-fluoro-2-methylphenyl)-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 43165593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).