1-N-tert-butyl-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine

C15H26N2O — CID 55074176

IUPAC1-N-tert-butyl-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine
SMILESCOc1ccccc1N(C)C(C)CNC(C)(C)C
InChIInChI=1S/C15H26N2O/c1-12(11-16-15(2,3)4)17(5)13-9-7-8-10-14(13)18-6/h7-10,12,16H,11H2,1-6H3
InChIKeyIRXCEPODKKSDCE-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.91
Rot. Bonds5

About 1-N-tert-butyl-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine

1-N-tert-butyl-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine (PubChem CID 55074176) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine
PubChem CID55074176
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-N-tert-butyl-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine
SMILESCOc1ccccc1N(C)C(C)CNC(C)(C)C
InChIInChI=1S/C15H26N2O/c1-12(11-16-15(2,3)4)17(5)13-9-7-8-10-14(13)18-6/h7-10,12,16H,11H2,1-6H3
InChIKeyIRXCEPODKKSDCE-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-tert-butyl-2-N-ethyl-2-N-[(1S)-1-(2-methoxyphenyl)ethyl]propane-1,2-diamine
CID 58313619
1-N-ethyl-2-N-(2-methoxyphenyl)-2-N-methylbutane-1,2-diamine
CID 62429504
N-tert-butyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine
CID 62260778
(4R)-N-tert-butyl-4-(2-methoxyphenyl)-2-methylpentan-1-amine
CID 58313669
3-(2-methoxy-N-methylanilino)-3-methylpentan-2-ol
CID 114274916
tert-butyl 2-(2-methoxy-N-methylanilino)propanoate
CID 64689348
4-methoxy-2-N-(2-methoxyphenyl)-2-N,4-dimethylpentane-1,2-diamine
CID 106675642
1-N-tert-butyl-4-N-[(2-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 62435403
N-iodo-2-methoxy-N-methylaniline
CID 153134478
N-(2-methoxyphenyl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62259584
N-tert-butyl-3-(2,6-dimethoxyphenoxy)-2-methylpropan-1-amine
CID 62451084
2-(ethylamino)-4-(2-methoxy-N-methylanilino)-2-methylbutan-1-ol
CID 64791522

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine (CID 55074176) is 1-N-tert-butyl-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine is COc1ccccc1N(C)C(C)CNC(C)(C)C.
What is the InChIKey of 1-N-tert-butyl-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is IRXCEPODKKSDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(11-16-15(2,3)4)17(5)13-9-7-8-10-14(13)18-6/h7-10,12,16H,11H2,1-6H3.
What are the key properties of 1-N-tert-butyl-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine?
1-N-tert-butyl-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 55074176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).