1-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine

C14H22Cl2N2 — CID 43109817

IUPAC1-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)C(CNCc1c(Cl)cccc1Cl)N(C)C
InChIInChI=1S/C14H22Cl2N2/c1-10(2)14(18(3)4)9-17-8-11-12(15)6-5-7-13(11)16/h5-7,10,14,17H,8-9H2,1-4H3
InChIKeyRSXFOXJOWSDUFL-UHFFFAOYSA-N
MW289.25 g/mol
LogP3.67
Rot. Bonds6

About 1-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine

1-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine (PubChem CID 43109817) has the molecular formula C14H22Cl2N2 and a molecular weight of 289.25 g/mol. Its IUPAC name is 1-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
PubChem CID43109817
Molecular FormulaC14H22Cl2N2
Molecular Weight289.25 g/mol
Exact Mass288.12
IUPAC Name1-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)C(CNCc1c(Cl)cccc1Cl)N(C)C
InChIInChI=1S/C14H22Cl2N2/c1-10(2)14(18(3)4)9-17-8-11-12(15)6-5-7-13(11)16/h5-7,10,14,17H,8-9H2,1-4H3
InChIKeyRSXFOXJOWSDUFL-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylpropan-1-amine
CID 65037486
1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-ol
CID 115630633
1-N-[(3-chloro-4-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 81144020
2-N,2-N,3-trimethyl-1-N-[(4-methylphenyl)methyl]butane-1,2-diamine
CID 18804091
2-N,2-N-dimethyl-1-N-[(2,3,6-trichlorophenyl)methyl]propane-1,2-diamine
CID 115282416
4-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-1-ol
CID 66089888
N-[(2,6-dichlorophenyl)methyl]-2-methylsulfinylpropan-1-amine
CID 115763904
4-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]phenol
CID 43205412
1-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43434685
3-chloro-N-methyl-N-(3-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63551356
2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 63490702
1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 1-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine (CID 43109817) is 1-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 1-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine is CC(C)C(CNCc1c(Cl)cccc1Cl)N(C)C.
What is the InChIKey of 1-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The InChIKey is RSXFOXJOWSDUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N2/c1-10(2)14(18(3)4)9-17-8-11-12(15)6-5-7-13(11)16/h5-7,10,14,17H,8-9H2,1-4H3.
What are the key properties of 1-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
1-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine has a molecular weight of 289.25 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 43109817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).