N'-(4-methoxy-2,3-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine

C14H24N2O — CID 115199816

IUPACN'-(4-methoxy-2,3-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
SMILESCOc1ccc(NCC(C)(C)CN)c(C)c1C
InChIInChI=1S/C14H24N2O/c1-10-11(2)13(17-5)7-6-12(10)16-9-14(3,4)8-15/h6-7,16H,8-9,15H2,1-5H3
InChIKeyAOQNJKQXOWJYMK-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.71
Rot. Bonds5

About N'-(4-methoxy-2,3-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine

N'-(4-methoxy-2,3-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine (PubChem CID 115199816) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-(4-methoxy-2,3-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-methoxy-2,3-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
PubChem CID115199816
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN'-(4-methoxy-2,3-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
SMILESCOc1ccc(NCC(C)(C)CN)c(C)c1C
InChIInChI=1S/C14H24N2O/c1-10-11(2)13(17-5)7-6-12(10)16-9-14(3,4)8-15/h6-7,16H,8-9,15H2,1-5H3
InChIKeyAOQNJKQXOWJYMK-UHFFFAOYSA-N
XLogP2.71
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dimethoxy-3-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135137
N'-(5-chloro-2-methoxy-4-methylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 115199799
N-[(4-aminophenyl)methyl]-4-methoxy-2,3-dimethylaniline
CID 115212367
1-N-(4-methoxy-2,3-dimethylphenyl)pentane-1,4-diamine
CID 115203598
4-(4-methoxy-2,3-dimethylanilino)-2,2-dimethylbutanoic acid
CID 115221019
N'-(2,4-dimethoxy-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 115252337
N-[(3-aminophenyl)methyl]-4-methoxy-2,3-dimethylaniline
CID 115211786
(4-methoxy-2,3-dimethylphenyl)thiourea
CID 169357786
N-ethyl-3,4-dimethoxy-2-methylaniline
CID 143026741
N'-(5-chloro-2-methoxy-3-methylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 115199813
N'-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 115199779
N'-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-2,2-dimethylpropane-1,3-diamine
CID 115200085

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxy-2,3-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(4-methoxy-2,3-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine (CID 115199816) is N'-(4-methoxy-2,3-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-methoxy-2,3-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(4-methoxy-2,3-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine is COc1ccc(NCC(C)(C)CN)c(C)c1C.
What is the InChIKey of N'-(4-methoxy-2,3-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine?
The InChIKey is AOQNJKQXOWJYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10-11(2)13(17-5)7-6-12(10)16-9-14(3,4)8-15/h6-7,16H,8-9,15H2,1-5H3.
What are the key properties of N'-(4-methoxy-2,3-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine?
N'-(4-methoxy-2,3-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxy-2,3-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115199816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).