4-(2-chloro-6-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine

C13H20ClFN2 — CID 113291231

IUPAC4-(2-chloro-6-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
SMILESCNC(CCN(C)C)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H20ClFN2/c1-16-10(7-8-17(2)3)9-11-12(14)5-4-6-13(11)15/h4-6,10,16H,7-9H2,1-3H3
InChIKeyDXWRDTROTVWDED-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.56
Rot. Bonds6

About 4-(2-chloro-6-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine

4-(2-chloro-6-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine (PubChem CID 113291231) has the molecular formula C13H20ClFN2 and a molecular weight of 258.77 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
PubChem CID113291231
Molecular FormulaC13H20ClFN2
Molecular Weight258.77 g/mol
Exact Mass258.13
IUPAC Name4-(2-chloro-6-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
SMILESCNC(CCN(C)C)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H20ClFN2/c1-16-10(7-8-17(2)3)9-11-12(14)5-4-6-13(11)15/h4-6,10,16H,7-9H2,1-3H3
InChIKeyDXWRDTROTVWDED-UHFFFAOYSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-chloro-6-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,3-difluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 113291249
1-(2-chloro-6-fluorophenyl)-5-methoxy-N,5-dimethylhexan-2-amine
CID 103031231
1-(2-chloro-6-fluorophenyl)-N-methylhex-4-yn-2-amine
CID 63022661
2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 61079857
1-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-2-amine
CID 83176029
1-(2-chloro-6-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine
CID 105106068
1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine
CID 61079503
1-(2-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine
CID 115983713
1-(2-chloro-6-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66147469
3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 62531287
4-(4-bromo-2-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346335
1-[2-(2-chloro-6-fluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070602

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine (CID 113291231) is 4-(2-chloro-6-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine is CNC(CCN(C)C)Cc1c(F)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
The InChIKey is DXWRDTROTVWDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClFN2/c1-16-10(7-8-17(2)3)9-11-12(14)5-4-6-13(11)15/h4-6,10,16H,7-9H2,1-3H3.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine?
4-(2-chloro-6-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine has a molecular weight of 258.77 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine is sourced from PubChem (CID 113291231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).