1-(2-chloro-6-methoxyphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine

C15H25ClN2O — CID 104816241

IUPAC1-(2-chloro-6-methoxyphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
SMILESCOc1cccc(Cl)c1C(CN)N(C)C(C)C(C)C
InChIInChI=1S/C15H25ClN2O/c1-10(2)11(3)18(4)13(9-17)15-12(16)7-6-8-14(15)19-5/h6-8,10-11,13H,9,17H2,1-5H3
InChIKeyLPZLUQFAKTYPPG-UHFFFAOYSA-N
MW284.83 g/mol
LogP3.32
Rot. Bonds6

About 1-(2-chloro-6-methoxyphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine

1-(2-chloro-6-methoxyphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine (PubChem CID 104816241) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 1-(2-chloro-6-methoxyphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chloro-6-methoxyphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
PubChem CID104816241
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name1-(2-chloro-6-methoxyphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
SMILESCOc1cccc(Cl)c1C(CN)N(C)C(C)C(C)C
InChIInChI=1S/C15H25ClN2O/c1-10(2)11(3)18(4)13(9-17)15-12(16)7-6-8-14(15)19-5/h6-8,10-11,13H,9,17H2,1-5H3
InChIKeyLPZLUQFAKTYPPG-UHFFFAOYSA-N
XLogP3.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 104816327
1-(2-chloro-6-methoxyphenyl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine
CID 104816310
1-(2-chloro-6-methoxyphenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine
CID 104816340
1-(2-chloro-6-methoxyphenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine
CID 104816278
(1S)-1-(2-chloro-6-methoxyphenyl)-2-methylpropan-1-amine
CID 130848215
N-[(5-bromothiophen-3-yl)methyl]-1-(2-chloro-6-methoxyphenyl)-N-methylethane-1,2-diamine
CID 104816285
1-(2-chloro-6-methoxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 104816344
1-(2-ethoxyphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 43569806
1-(2-chloro-6-methoxyphenyl)-N-ethylethane-1,2-diamine
CID 104816313
2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol
CID 84681417
2-(2-chloro-6-methoxyphenyl)-2-triethylsilyloxyethanamine
CID 123701807
1-(2-chloro-6-methoxyphenyl)-3-methylbutan-1-ol
CID 104817046

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methoxyphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-(2-chloro-6-methoxyphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine (CID 104816241) is 1-(2-chloro-6-methoxyphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-chloro-6-methoxyphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-chloro-6-methoxyphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine is COc1cccc(Cl)c1C(CN)N(C)C(C)C(C)C.
What is the InChIKey of 1-(2-chloro-6-methoxyphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is LPZLUQFAKTYPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-10(2)11(3)18(4)13(9-17)15-12(16)7-6-8-14(15)19-5/h6-8,10-11,13H,9,17H2,1-5H3.
What are the key properties of 1-(2-chloro-6-methoxyphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine?
1-(2-chloro-6-methoxyphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 284.83 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methoxyphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 104816241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).