4-(2,6-dichlorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine

C16H26Cl2N2 — CID 79088008

IUPAC4-(2,6-dichlorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine
SMILESCCNC(CCN(CC)CC)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H26Cl2N2/c1-4-19-13(10-11-20(5-2)6-3)12-14-15(17)8-7-9-16(14)18/h7-9,13,19H,4-6,10-12H2,1-3H3
InChIKeyQTLCGNBZVMFNNA-UHFFFAOYSA-N
MW317.30 g/mol
LogP4.25
Rot. Bonds9

About 4-(2,6-dichlorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine

4-(2,6-dichlorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine (PubChem CID 79088008) has the molecular formula C16H26Cl2N2 and a molecular weight of 317.30 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine
PubChem CID79088008
Molecular FormulaC16H26Cl2N2
Molecular Weight317.30 g/mol
Exact Mass316.15
IUPAC Name4-(2,6-dichlorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine
SMILESCCNC(CCN(CC)CC)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H26Cl2N2/c1-4-19-13(10-11-20(5-2)6-3)12-14-15(17)8-7-9-16(14)18/h7-9,13,19H,4-6,10-12H2,1-3H3
InChIKeyQTLCGNBZVMFNNA-UHFFFAOYSA-N
XLogP4.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 112688260
1-(2,6-dichlorophenyl)-N-ethylhept-5-yn-2-amine
CID 113455278
1-(2,6-dichlorophenyl)-N-ethyl-5-methoxypentan-2-amine
CID 62604328
1-cyclopropyl-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
CID 64906804
1-(2,6-dichlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 65128864
1-(2,6-dichlorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65134967
1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine
CID 63420252
1-(2,6-dichlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103009693
1-(2-bromophenyl)-3-(2,6-dichlorophenyl)-N-ethylpropan-2-amine
CID 63415285
4-(3,5-difluorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine
CID 105406565
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine
CID 105105675
1-(2,6-dichlorophenyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214862

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine?
The IUPAC name of 4-(2,6-dichlorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine (CID 79088008) is 4-(2,6-dichlorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine?
The canonical SMILES for 4-(2,6-dichlorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine is CCNC(CCN(CC)CC)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 4-(2,6-dichlorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine?
The InChIKey is QTLCGNBZVMFNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26Cl2N2/c1-4-19-13(10-11-20(5-2)6-3)12-14-15(17)8-7-9-16(14)18/h7-9,13,19H,4-6,10-12H2,1-3H3.
What are the key properties of 4-(2,6-dichlorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine?
4-(2,6-dichlorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine has a molecular weight of 317.30 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine is sourced from PubChem (CID 79088008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).