3-N,3-N-dimethyl-1-N-(2-phenoxyethyl)benzene-1,3-diamine

C16H20N2O — CID 115377712

IUPAC3-N,3-N-dimethyl-1-N-(2-phenoxyethyl)benzene-1,3-diamine
SMILESCN(C)c1cccc(NCCOc2ccccc2)c1
InChIInChI=1S/C16H20N2O/c1-18(2)15-8-6-7-14(13-15)17-11-12-19-16-9-4-3-5-10-16/h3-10,13,17H,11-12H2,1-2H3
InChIKeyXPVPMQKDSIECEG-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.24
Rot. Bonds6

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

3-N,3-N-dimethyl-1-N-(2-phenoxyethyl)benzene-1,3-diamine (PubChem CID 115377712) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-(2-phenoxyethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N-(2-phenoxyethyl)benzene-1,3-diamine
PubChem CID115377712
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-N,3-N-dimethyl-1-N-(2-phenoxyethyl)benzene-1,3-diamine
SMILESCN(C)c1cccc(NCCOc2ccccc2)c1
InChIInChI=1S/C16H20N2O/c1-18(2)15-8-6-7-14(13-15)17-11-12-19-16-9-4-3-5-10-16/h3-10,13,17H,11-12H2,1-2H3
InChIKeyXPVPMQKDSIECEG-UHFFFAOYSA-N
XLogP3.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-[2-(2-methoxyphenoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115377842
N-[2-(4-methylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline
CID 54800838
N-[2-(2-tert-butylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline
CID 54800772
N-[2-[3-(dimethylamino)phenoxy]ethyl]-2-methylaniline
CID 62584415
3-N,3-N-dimethyl-1-N-[2-(3-methylbutoxy)ethyl]benzene-1,3-diamine
CID 115377786
1-N-[2-(3-methoxypropoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 103179316
N-[2-(3-methylphenoxy)ethyl]aniline
CID 54796212
3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 54803079
N-[2-(2,4-ditert-butylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline
CID 54800763
N-[2-(3,5-dimethylphenoxy)ethyl]-3-phenylmethoxyaniline
CID 54801279
4-N-(2-phenoxyethyl)benzene-1,2,4-triamine
CID 106750634
methyl 3-[3-(dimethylamino)anilino]propanoate
CID 80504001

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1-N-(2-phenoxyethyl)benzene-1,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-1-N-(2-phenoxyethyl)benzene-1,3-diamine (CID 115377712) is 3-N,3-N-dimethyl-1-N-(2-phenoxyethyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N-(2-phenoxyethyl)benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-1-N-(2-phenoxyethyl)benzene-1,3-diamine is CN(C)c1cccc(NCCOc2ccccc2)c1.
What is the InChIKey of 3-N,3-N-dimethyl-1-N-(2-phenoxyethyl)benzene-1,3-diamine?
The InChIKey is XPVPMQKDSIECEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-18(2)15-8-6-7-14(13-15)17-11-12-19-16-9-4-3-5-10-16/h3-10,13,17H,11-12H2,1-2H3.
What are the key properties of 3-N,3-N-dimethyl-1-N-(2-phenoxyethyl)benzene-1,3-diamine?
3-N,3-N-dimethyl-1-N-(2-phenoxyethyl)benzene-1,3-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-1-N-(2-phenoxyethyl)benzene-1,3-diamine is sourced from PubChem (CID 115377712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).