1-(4-chloro-3-methoxyphenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine

C15H25ClN2O — CID 79700151

IUPAC1-(4-chloro-3-methoxyphenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
SMILESCCC(C)(C(NC)c1ccc(Cl)c(OC)c1)N(C)C
InChIInChI=1S/C15H25ClN2O/c1-7-15(2,18(4)5)14(17-3)11-8-9-12(16)13(10-11)19-6/h8-10,14,17H,7H2,1-6H3
InChIKeyWQXKLDPCMGYKBF-UHFFFAOYSA-N
MW284.83 g/mol
LogP3.34
Rot. Bonds6

About 1-(4-chloro-3-methoxyphenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine

1-(4-chloro-3-methoxyphenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine (PubChem CID 79700151) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
PubChem CID79700151
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name1-(4-chloro-3-methoxyphenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
SMILESCCC(C)(C(NC)c1ccc(Cl)c(OC)c1)N(C)C
InChIInChI=1S/C15H25ClN2O/c1-7-15(2,18(4)5)14(17-3)11-8-9-12(16)13(10-11)19-6/h8-10,14,17H,7H2,1-6H3
InChIKeyWQXKLDPCMGYKBF-UHFFFAOYSA-N
XLogP3.34
TPSA24.50 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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-1-hydrazinyl-N,N,2-trimethylbutan-2-amine
CID 105240484
1-(4-chloro-3-methoxyphenyl)-1-N,2-diethyl-2-N,2-N-dimethylbutane-1,2-diamine
CID 79698267
1-(3,4-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
CID 79063885
1-(4-chloro-3-methoxyphenyl)-N,3,3-trimethylbutan-1-amine
CID 79700129
1-(3,4-dichlorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79061036
1-(4-chloro-3-methoxyphenyl)-N-methylpentan-1-amine
CID 79697774
1-(4-chloro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol
CID 116751889
1-(3,4-dimethylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
CID 79069534
1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 105006926
2-N,2-N-diethyl-1-(3-methoxyphenyl)-1-N,2-dimethylbutane-1,2-diamine
CID 79068906
1-(4-chloro-3-methoxyphenyl)-N-methyl-2-propylsulfanylethanamine
CID 79697204
1-(4-chloro-3-methoxyphenyl)-2-methylbutan-1-ol
CID 79699849

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine (CID 79700151) is 1-(4-chloro-3-methoxyphenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine is CCC(C)(C(NC)c1ccc(Cl)c(OC)c1)N(C)C.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine?
The InChIKey is WQXKLDPCMGYKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-7-15(2,18(4)5)14(17-3)11-8-9-12(16)13(10-11)19-6/h8-10,14,17H,7H2,1-6H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine?
1-(4-chloro-3-methoxyphenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine has a molecular weight of 284.83 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine is sourced from PubChem (CID 79700151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).