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

C17H22N2O — CID 79588899

IUPAC4-N,4-N-dimethyl-2-(3-phenylpropoxy)benzene-1,4-diamine
SMILESCN(C)c1ccc(N)c(OCCCc2ccccc2)c1
InChIInChI=1S/C17H22N2O/c1-19(2)15-10-11-16(18)17(13-15)20-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11,13H,6,9,12,18H2,1-2H3
InChIKeyGNYXUHJOHHNSLE-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.35
Rot. Bonds6

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

4-N,4-N-dimethyl-2-(3-phenylpropoxy)benzene-1,4-diamine (PubChem CID 79588899) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-(3-phenylpropoxy)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-(3-phenylpropoxy)benzene-1,4-diamine
PubChem CID79588899
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-N,4-N-dimethyl-2-(3-phenylpropoxy)benzene-1,4-diamine
SMILESCN(C)c1ccc(N)c(OCCCc2ccccc2)c1
InChIInChI=1S/C17H22N2O/c1-19(2)15-10-11-16(18)17(13-15)20-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11,13H,6,9,12,18H2,1-2H3
InChIKeyGNYXUHJOHHNSLE-UHFFFAOYSA-N
XLogP3.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.35
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[2-amino-5-(dimethylamino)phenoxy]propan-1-ol
CID 79588900
2-[2-amino-5-(dimethylamino)phenoxy]ethanol
CID 79589167
4-N,4-N-dimethyl-2-(3-methylbutoxy)benzene-1,4-diamine
CID 79588986
4,5-dimethoxy-2-(3-phenylpropoxy)aniline
CID 83005249
4-[2-amino-5-(dimethylamino)phenoxy]-2-methylbutan-2-ol
CID 79588662
2-[(3-chlorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589158
2-[(3-methoxyphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589508
N,N-dimethyl-4-(3-phenoxypropyl)aniline
CID 91358469
2-[(4-ethylphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589331
4-N,4-N-dimethyl-2-[2-(trifluoromethylsulfanyl)ethoxy]benzene-1,4-diamine
CID 116614847
2-(2,2-difluoroethoxy)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79588821
4-N,4-N-dimethyl-2-(2-propylsulfonylethoxy)benzene-1,4-diamine
CID 106721717

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-(3-phenylpropoxy)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-2-(3-phenylpropoxy)benzene-1,4-diamine (CID 79588899) is 4-N,4-N-dimethyl-2-(3-phenylpropoxy)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-(3-phenylpropoxy)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-(3-phenylpropoxy)benzene-1,4-diamine is CN(C)c1ccc(N)c(OCCCc2ccccc2)c1.
What is the InChIKey of 4-N,4-N-dimethyl-2-(3-phenylpropoxy)benzene-1,4-diamine?
The InChIKey is GNYXUHJOHHNSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19(2)15-10-11-16(18)17(13-15)20-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11,13H,6,9,12,18H2,1-2H3.
What are the key properties of 4-N,4-N-dimethyl-2-(3-phenylpropoxy)benzene-1,4-diamine?
4-N,4-N-dimethyl-2-(3-phenylpropoxy)benzene-1,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.35, 6 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-phenylpropoxy)benzene-1,4-diamine is sourced from PubChem (CID 79588899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).