2,6-dichloro-1-N-[2-(dimethylamino)ethyl]-1-N-(2-methylpropyl)benzene-1,4-diamine

C14H23Cl2N3 — CID 106890203

IUPAC2,6-dichloro-1-N-[2-(dimethylamino)ethyl]-1-N-(2-methylpropyl)benzene-1,4-diamine
SMILESCC(C)CN(CCN(C)C)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C14H23Cl2N3/c1-10(2)9-19(6-5-18(3)4)14-12(15)7-11(17)8-13(14)16/h7-8,10H,5-6,9,17H2,1-4H3
InChIKeyLCHHHRNXKRGRKQ-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.60
Rot. Bonds6

About 2,6-dichloro-1-N-[2-(dimethylamino)ethyl]-1-N-(2-methylpropyl)benzene-1,4-diamine

2,6-dichloro-1-N-[2-(dimethylamino)ethyl]-1-N-(2-methylpropyl)benzene-1,4-diamine (PubChem CID 106890203) has the molecular formula C14H23Cl2N3 and a molecular weight of 304.27 g/mol. Its IUPAC name is 2,6-dichloro-1-N-[2-(dimethylamino)ethyl]-1-N-(2-methylpropyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-[2-(dimethylamino)ethyl]-1-N-(2-methylpropyl)benzene-1,4-diamine
PubChem CID106890203
Molecular FormulaC14H23Cl2N3
Molecular Weight304.27 g/mol
Exact Mass303.13
IUPAC Name2,6-dichloro-1-N-[2-(dimethylamino)ethyl]-1-N-(2-methylpropyl)benzene-1,4-diamine
SMILESCC(C)CN(CCN(C)C)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C14H23Cl2N3/c1-10(2)9-19(6-5-18(3)4)14-12(15)7-11(17)8-13(14)16/h7-8,10H,5-6,9,17H2,1-4H3
InChIKeyLCHHHRNXKRGRKQ-UHFFFAOYSA-N
XLogP3.60
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-N-[2-(dimethylamino)ethyl]-5-fluoro-1-N-(2-methylpropyl)benzene-1,2-diamine
CID 66077630
5-amino-2-[bis(2-methylpropyl)amino]-3-chlorobenzoic acid
CID 107194462
N'-[2-chloro-6-(chloromethyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 114067768
N'-[4-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 114925738
[3-chloro-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]phenyl]methanol
CID 81151916
2,6-dichloro-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine
CID 106890000
N'-[3-chloro-5-(chloromethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55008890
3-N-[2-(dimethylamino)ethyl]-3-N-(2-methylpropyl)pyrazine-2,3-diamine
CID 102985665
2-(4-amino-2,6-dichloro-N-propylanilino)ethanol
CID 106890073
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81285521
4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80934593
4-bromo-2-N-[2-(dimethylamino)ethyl]-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 116735743

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-[2-(dimethylamino)ethyl]-1-N-(2-methylpropyl)benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-[2-(dimethylamino)ethyl]-1-N-(2-methylpropyl)benzene-1,4-diamine (CID 106890203) is 2,6-dichloro-1-N-[2-(dimethylamino)ethyl]-1-N-(2-methylpropyl)benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-[2-(dimethylamino)ethyl]-1-N-(2-methylpropyl)benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-[2-(dimethylamino)ethyl]-1-N-(2-methylpropyl)benzene-1,4-diamine is CC(C)CN(CCN(C)C)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 2,6-dichloro-1-N-[2-(dimethylamino)ethyl]-1-N-(2-methylpropyl)benzene-1,4-diamine?
The InChIKey is LCHHHRNXKRGRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23Cl2N3/c1-10(2)9-19(6-5-18(3)4)14-12(15)7-11(17)8-13(14)16/h7-8,10H,5-6,9,17H2,1-4H3.
What are the key properties of 2,6-dichloro-1-N-[2-(dimethylamino)ethyl]-1-N-(2-methylpropyl)benzene-1,4-diamine?
2,6-dichloro-1-N-[2-(dimethylamino)ethyl]-1-N-(2-methylpropyl)benzene-1,4-diamine has a molecular weight of 304.27 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N-[2-(dimethylamino)ethyl]-1-N-(2-methylpropyl)benzene-1,4-diamine is sourced from PubChem (CID 106890203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).