1-N-[1-(3-methoxyphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine

C17H22N2O — CID 43616993

IUPAC1-N-[1-(3-methoxyphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCOc1cccc(C(C)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H22N2O/c1-13(14-6-5-7-17(12-14)20-4)18-15-8-10-16(11-9-15)19(2)3/h5-13,18H,1-4H3
InChIKeySDPLYQXFXBNTLC-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.93
Rot. Bonds5

About 1-N-[1-(3-methoxyphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-[1-(3-methoxyphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 43616993) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-N-[1-(3-methoxyphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[1-(3-methoxyphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID43616993
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-N-[1-(3-methoxyphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCOc1cccc(C(C)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H22N2O/c1-13(14-6-5-7-17(12-14)20-4)18-15-8-10-16(11-9-15)19(2)3/h5-13,18H,1-4H3
InChIKeySDPLYQXFXBNTLC-UHFFFAOYSA-N
XLogP3.93
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43108106
3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43380564
[4-(dimethylamino)phenyl]-(3-methoxyphenyl)methanol
CID 63893480
3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43196055
1-N-[1-(3-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913145
N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophen-5-amine
CID 43687855
N-[1-[4-(dimethylamino)phenyl]ethyl]-3-ethoxyaniline
CID 60935970
2-chloro-5-[1-(3-methoxyphenyl)ethylamino]benzonitrile
CID 43686946
N-[1-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682691
2-chloro-4-[1-(3-methoxyphenyl)ethylamino]benzamide
CID 43736525
3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]cyclobut-3-ene-1,2-dione
CID 57475519
2,4,6-tribromo-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43126327

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(3-methoxyphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[1-(3-methoxyphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 43616993) is 1-N-[1-(3-methoxyphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[1-(3-methoxyphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[1-(3-methoxyphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine is COc1cccc(C(C)Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of 1-N-[1-(3-methoxyphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is SDPLYQXFXBNTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13(14-6-5-7-17(12-14)20-4)18-15-8-10-16(11-9-15)19(2)3/h5-13,18H,1-4H3.
What are the key properties of 1-N-[1-(3-methoxyphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-[1-(3-methoxyphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(3-methoxyphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 43616993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).