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

C16H18F2N2 — CID 115376832

IUPAC1-N-[(2,4-difluorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCc1ccc(NCc2ccc(F)cc2F)cc1N(C)C
InChIInChI=1S/C16H18F2N2/c1-11-4-7-14(9-16(11)20(2)3)19-10-12-5-6-13(17)8-15(12)18/h4-9,19H,10H2,1-3H3
InChIKeyKSUJMRCCKPSBFX-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.95
Rot. Bonds4

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

1-N-[(2,4-difluorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine (PubChem CID 115376832) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-N-[(2,4-difluorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[(2,4-difluorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
PubChem CID115376832
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name1-N-[(2,4-difluorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCc1ccc(NCc2ccc(F)cc2F)cc1N(C)C
InChIInChI=1S/C16H18F2N2/c1-11-4-7-14(9-16(11)20(2)3)19-10-12-5-6-13(17)8-15(12)18/h4-9,19H,10H2,1-3H3
InChIKeyKSUJMRCCKPSBFX-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-N-[(2,4-difluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690440
3-N,3-N,4-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-diamine
CID 115376609
2-[[3-(dimethylamino)-4-methylanilino]methyl]phenol
CID 115377279
1-N-[(3-bromo-5-fluorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115378231
3-N,3-N,4-trimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine
CID 115376878
N-[4-[(2,4-difluorophenyl)methylamino]-2-methylphenyl]acetamide
CID 43672810
2-[3-(dimethylamino)-4-methylanilino]-1-(4-fluorophenyl)ethanol
CID 115377997
N-[(2,4-difluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 103825883
1-N-[(3,5-dichlorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376970
3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841284
N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 28555155
N-[(2-bromo-4-fluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55196577

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2,4-difluorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-[(2,4-difluorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine (CID 115376832) is 1-N-[(2,4-difluorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-[(2,4-difluorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-[(2,4-difluorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine is Cc1ccc(NCc2ccc(F)cc2F)cc1N(C)C.
What is the InChIKey of 1-N-[(2,4-difluorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The InChIKey is KSUJMRCCKPSBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-11-4-7-14(9-16(11)20(2)3)19-10-12-5-6-13(17)8-15(12)18/h4-9,19H,10H2,1-3H3.
What are the key properties of 1-N-[(2,4-difluorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine?
1-N-[(2,4-difluorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine has a molecular weight of 276.33 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2,4-difluorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine is sourced from PubChem (CID 115376832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).