4-N-[(2,3-difluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine

C14H14F2N2 — CID 43658941

IUPAC4-N-[(2,3-difluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
SMILESCN(Cc1cccc(F)c1F)c1ccc(N)cc1
InChIInChI=1S/C14H14F2N2/c1-18(12-7-5-11(17)6-8-12)9-10-3-2-4-13(15)14(10)16/h2-8H,9,17H2,1H3
InChIKeySRQVCFGYZITDOC-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.18
Rot. Bonds3

About 4-N-[(2,3-difluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine

4-N-[(2,3-difluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine (PubChem CID 43658941) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-N-[(2,3-difluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[(2,3-difluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
PubChem CID43658941
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC Name4-N-[(2,3-difluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
SMILESCN(Cc1cccc(F)c1F)c1ccc(N)cc1
InChIInChI=1S/C14H14F2N2/c1-18(12-7-5-11(17)6-8-12)9-10-3-2-4-13(15)14(10)16/h2-8H,9,17H2,1H3
InChIKeySRQVCFGYZITDOC-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(4-amino-N-methylanilino)methyl]-2-fluorobenzonitrile
CID 107118536
4-N-methyl-4-N-(naphthalen-1-ylmethyl)benzene-1,4-diamine
CID 28894653
4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 28894681
3-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-diamine
CID 39247780
4-[(2-fluorophenyl)methyl-methylamino]benzaldehyde
CID 61412166
4-[(2-fluorophenyl)methyl-methylamino]benzoic acid
CID 39359993
2-amino-5-[(2-fluorophenyl)methyl-methylamino]benzoic acid
CID 61413060
2-fluoro-3-[(N-methylanilino)methyl]benzoic acid
CID 107119323
4-N-[(2-bromophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123939
1-N-[(2-fluorophenyl)methyl]-2-iodo-1-N-methylbenzene-1,4-diamine
CID 66094772
4-methyl-3-[(N-methylanilino)methyl]aniline
CID 82128220
3-fluoro-4-[(2-fluoro-N-methylanilino)methyl]aniline
CID 64768467

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,3-difluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-[(2,3-difluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine (CID 43658941) is 4-N-[(2,3-difluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[(2,3-difluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[(2,3-difluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine is CN(Cc1cccc(F)c1F)c1ccc(N)cc1.
What is the InChIKey of 4-N-[(2,3-difluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine?
The InChIKey is SRQVCFGYZITDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c1-18(12-7-5-11(17)6-8-12)9-10-3-2-4-13(15)14(10)16/h2-8H,9,17H2,1H3.
What are the key properties of 4-N-[(2,3-difluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine?
4-N-[(2,3-difluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine has a molecular weight of 248.28 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,3-difluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 43658941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).