3-N-[4-(difluoromethoxy)phenyl]-4-methylbenzene-1,3-diamine

C14H14F2N2O — CID 62589407

IUPAC3-N-[4-(difluoromethoxy)phenyl]-4-methylbenzene-1,3-diamine
SMILESCc1ccc(N)cc1Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H14F2N2O/c1-9-2-3-10(17)8-13(9)18-11-4-6-12(7-5-11)19-14(15)16/h2-8,14,18H,17H2,1H3
InChIKeyMEOPDIDWJYGEKD-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.92
Rot. Bonds4

About 3-N-[4-(difluoromethoxy)phenyl]-4-methylbenzene-1,3-diamine

3-N-[4-(difluoromethoxy)phenyl]-4-methylbenzene-1,3-diamine (PubChem CID 62589407) has the molecular formula C14H14F2N2O and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-N-[4-(difluoromethoxy)phenyl]-4-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[4-(difluoromethoxy)phenyl]-4-methylbenzene-1,3-diamine
PubChem CID62589407
Molecular FormulaC14H14F2N2O
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3-N-[4-(difluoromethoxy)phenyl]-4-methylbenzene-1,3-diamine
SMILESCc1ccc(N)cc1Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H14F2N2O/c1-9-2-3-10(17)8-13(9)18-11-4-6-12(7-5-11)19-14(15)16/h2-8,14,18H,17H2,1H3
InChIKeyMEOPDIDWJYGEKD-UHFFFAOYSA-N
XLogP3.92
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-fluoro-5-methylaniline
CID 56636646
4-(5-amino-2-methylanilino)benzonitrile
CID 62588662
4-(difluoromethoxy)aniline
CID 737363
3-N-(4-methoxy-3-methylphenyl)-4-methylbenzene-1,3-diamine
CID 55091364
3-N-(2,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62588272
2-N-[4-(difluoromethoxy)phenyl]-1,3-benzoxazole-2,6-diamine
CID 79881963
3-N-(3,5-dichloro-4-fluorophenyl)-4-methylbenzene-1,3-diamine
CID 107571479
4-amino-3-[4-(difluoromethoxy)anilino]benzonitrile
CID 104711485
2-[4-(5-amino-2-methylanilino)phenyl]acetonitrile
CID 62589616
4-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine
CID 62588854
3-N-(3-chloro-4-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 55091841
4-[4-(difluoromethoxy)phenoxy]aniline
CID 71414941

Frequently Asked Questions

What is the IUPAC name of 3-N-[4-(difluoromethoxy)phenyl]-4-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-[4-(difluoromethoxy)phenyl]-4-methylbenzene-1,3-diamine (CID 62589407) is 3-N-[4-(difluoromethoxy)phenyl]-4-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-[4-(difluoromethoxy)phenyl]-4-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-[4-(difluoromethoxy)phenyl]-4-methylbenzene-1,3-diamine is Cc1ccc(N)cc1Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 3-N-[4-(difluoromethoxy)phenyl]-4-methylbenzene-1,3-diamine?
The InChIKey is MEOPDIDWJYGEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c1-9-2-3-10(17)8-13(9)18-11-4-6-12(7-5-11)19-14(15)16/h2-8,14,18H,17H2,1H3.
What are the key properties of 3-N-[4-(difluoromethoxy)phenyl]-4-methylbenzene-1,3-diamine?
3-N-[4-(difluoromethoxy)phenyl]-4-methylbenzene-1,3-diamine has a molecular weight of 264.28 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-(difluoromethoxy)phenyl]-4-methylbenzene-1,3-diamine is sourced from PubChem (CID 62589407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).