5-chloro-1-N-[2-(dimethylamino)propyl]-6-fluorobenzene-1,2,4-triamine

C11H18ClFN4 — CID 103552970

IUPAC5-chloro-1-N-[2-(dimethylamino)propyl]-6-fluorobenzene-1,2,4-triamine
SMILESCC(CNc1c(N)cc(N)c(Cl)c1F)N(C)C
InChIInChI=1S/C11H18ClFN4/c1-6(17(2)3)5-16-11-8(15)4-7(14)9(12)10(11)13/h4,6,16H,5,14-15H2,1-3H3
InChIKeyQQUCVANWYZSORR-UHFFFAOYSA-N
MW260.74 g/mol
LogP2.01
Rot. Bonds4

About 5-chloro-1-N-[2-(dimethylamino)propyl]-6-fluorobenzene-1,2,4-triamine

5-chloro-1-N-[2-(dimethylamino)propyl]-6-fluorobenzene-1,2,4-triamine (PubChem CID 103552970) has the molecular formula C11H18ClFN4 and a molecular weight of 260.74 g/mol. Its IUPAC name is 5-chloro-1-N-[2-(dimethylamino)propyl]-6-fluorobenzene-1,2,4-triamine.

Molecular Properties

Compound Name5-chloro-1-N-[2-(dimethylamino)propyl]-6-fluorobenzene-1,2,4-triamine
PubChem CID103552970
Molecular FormulaC11H18ClFN4
Molecular Weight260.74 g/mol
Exact Mass260.12
IUPAC Name5-chloro-1-N-[2-(dimethylamino)propyl]-6-fluorobenzene-1,2,4-triamine
SMILESCC(CNc1c(N)cc(N)c(Cl)c1F)N(C)C
InChIInChI=1S/C11H18ClFN4/c1-6(17(2)3)5-16-11-8(15)4-7(14)9(12)10(11)13/h4,6,16H,5,14-15H2,1-3H3
InChIKeyQQUCVANWYZSORR-UHFFFAOYSA-N
XLogP2.01
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

o-Phenylenediamine, 4-chloro-N-(2-(diethylamino)ethyl)-
CID 379214
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CID 2735745
2-Chloro-5-fluoro-4-piperazin-1-ylaniline
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4-chloro-2-N-ethyl-5-fluorobenzene-1,2-diamine
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CID 66079118
4-chloro-N2-cyclopropyl-5-fluoro-N2-methyl-benzene-1,2-diamine
CID 67320692
2-N-(3-chloro-4-fluorophenyl)-1-N,1-N-dimethylcyclohexane-1,2,4-triamine
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2-N-(3-chloro-4-fluorophenyl)cyclohexane-1,2,4-triamine
CID 67628830
5-Chloro-2-methylamino-4-(3-(trifluoromethyl)piperidin-1-yl)aniline
CID 67957692
4-Chloro-2-methylamino-5-(4-trifluoromethyl-piperidin-1-yl)aniline
CID 67957790
5-Chloro-2-methylamino-4-(4-fluoropiperidin-1-yl)-aniline
CID 67957985

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-N-[2-(dimethylamino)propyl]-6-fluorobenzene-1,2,4-triamine?
The IUPAC name of 5-chloro-1-N-[2-(dimethylamino)propyl]-6-fluorobenzene-1,2,4-triamine (CID 103552970) is 5-chloro-1-N-[2-(dimethylamino)propyl]-6-fluorobenzene-1,2,4-triamine.
What is the SMILES notation for 5-chloro-1-N-[2-(dimethylamino)propyl]-6-fluorobenzene-1,2,4-triamine?
The canonical SMILES for 5-chloro-1-N-[2-(dimethylamino)propyl]-6-fluorobenzene-1,2,4-triamine is CC(CNc1c(N)cc(N)c(Cl)c1F)N(C)C.
What is the InChIKey of 5-chloro-1-N-[2-(dimethylamino)propyl]-6-fluorobenzene-1,2,4-triamine?
The InChIKey is QQUCVANWYZSORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClFN4/c1-6(17(2)3)5-16-11-8(15)4-7(14)9(12)10(11)13/h4,6,16H,5,14-15H2,1-3H3.
What are the key properties of 5-chloro-1-N-[2-(dimethylamino)propyl]-6-fluorobenzene-1,2,4-triamine?
5-chloro-1-N-[2-(dimethylamino)propyl]-6-fluorobenzene-1,2,4-triamine has a molecular weight of 260.74 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-N-[2-(dimethylamino)propyl]-6-fluorobenzene-1,2,4-triamine is sourced from PubChem (CID 103552970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).