4-N,4-N-dimethyl-2-(3-methylbutoxy)benzene-1,4-diamine

C13H22N2O — CID 79588986

IUPAC4-N,4-N-dimethyl-2-(3-methylbutoxy)benzene-1,4-diamine
SMILESCC(C)CCOc1cc(N(C)C)ccc1N
InChIInChI=1S/C13H22N2O/c1-10(2)7-8-16-13-9-11(15(3)4)5-6-12(13)14/h5-6,9-10H,7-8,14H2,1-4H3
InChIKeyNPKGNSSXFLEKKD-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.76
Rot. Bonds5

About 4-N,4-N-dimethyl-2-(3-methylbutoxy)benzene-1,4-diamine

4-N,4-N-dimethyl-2-(3-methylbutoxy)benzene-1,4-diamine (PubChem CID 79588986) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-(3-methylbutoxy)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-(3-methylbutoxy)benzene-1,4-diamine
PubChem CID79588986
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-N,4-N-dimethyl-2-(3-methylbutoxy)benzene-1,4-diamine
SMILESCC(C)CCOc1cc(N(C)C)ccc1N
InChIInChI=1S/C13H22N2O/c1-10(2)7-8-16-13-9-11(15(3)4)5-6-12(13)14/h5-6,9-10H,7-8,14H2,1-4H3
InChIKeyNPKGNSSXFLEKKD-UHFFFAOYSA-N
XLogP2.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.76
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

2-[2-amino-5-(dimethylamino)phenoxy]ethanol
CID 79589167
3-[2-amino-5-(dimethylamino)phenoxy]propan-1-ol
CID 79588900
2-(2,2-difluoroethoxy)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79588821
4-[2-amino-5-(dimethylamino)phenoxy]-2-methylbutan-2-ol
CID 79588662
4-N,4-N-dimethyl-2-(3-phenylpropoxy)benzene-1,4-diamine
CID 79588899
4-N,4-N-dimethyl-2-[2-(trifluoromethylsulfanyl)ethoxy]benzene-1,4-diamine
CID 116614847
4-N,4-N-dimethyl-2-(2-propylsulfonylethoxy)benzene-1,4-diamine
CID 106721717
2-ethoxy-4-N,4-N-bis(2-methylpropyl)benzene-1,4-diamine
CID 63670487
2-[(4-ethylphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589331
4-fluoro-2-(4-methylpentoxy)aniline
CID 62377671
4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-2-propoxybenzene-1,4-diamine
CID 112657152
3-[2-amino-5-(dimethylamino)phenoxy]-N-cyclopropylpropanamide
CID 79589419

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-(3-methylbutoxy)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-2-(3-methylbutoxy)benzene-1,4-diamine (CID 79588986) is 4-N,4-N-dimethyl-2-(3-methylbutoxy)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-(3-methylbutoxy)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-(3-methylbutoxy)benzene-1,4-diamine is CC(C)CCOc1cc(N(C)C)ccc1N.
What is the InChIKey of 4-N,4-N-dimethyl-2-(3-methylbutoxy)benzene-1,4-diamine?
The InChIKey is NPKGNSSXFLEKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(2)7-8-16-13-9-11(15(3)4)5-6-12(13)14/h5-6,9-10H,7-8,14H2,1-4H3.
What are the key properties of 4-N,4-N-dimethyl-2-(3-methylbutoxy)benzene-1,4-diamine?
4-N,4-N-dimethyl-2-(3-methylbutoxy)benzene-1,4-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-(3-methylbutoxy)benzene-1,4-diamine is sourced from PubChem (CID 79588986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).