N'-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine

C12H20N2O — CID 28772430

IUPACN'-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine
SMILESCCOc1ccc(N(CC)CCN)cc1
InChIInChI=1S/C12H20N2O/c1-3-14(10-9-13)11-5-7-12(8-6-11)15-4-2/h5-8H,3-4,9-10,13H2,1-2H3
InChIKeyOHUWPQPYOMWCHC-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.87
Rot. Bonds6

About N'-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine

N'-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine (PubChem CID 28772430) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N'-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine
PubChem CID28772430
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN'-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine
SMILESCCOc1ccc(N(CC)CCN)cc1
InChIInChI=1S/C12H20N2O/c1-3-14(10-9-13)11-5-7-12(8-6-11)15-4-2/h5-8H,3-4,9-10,13H2,1-2H3
InChIKeyOHUWPQPYOMWCHC-UHFFFAOYSA-N
XLogP1.87
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
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

N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 28772410
N'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 28772434
4-ethoxy-N,N-dimethylaniline
CID 3624890
N'-(3-ethoxy-4-nitrophenyl)-N'-ethylethane-1,2-diamine
CID 114900597
4-ethoxy-N-ethyl-N-(oxiran-2-ylmethyl)aniline;methane
CID 160587423
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-ethylaniline
CID 43253527
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
4-[2-aminoethyl(ethyl)amino]-N-methylbenzenesulfonamide
CID 63766633
4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dipentylaniline
CID 67935322
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
N-(4-ethoxyphenyl)-N,4-dimethylaniline
CID 20575987
4-ethoxy-N,N-bis(2-methylpropyl)aniline;4-methoxy-N,N-bis(2-methylpropyl)aniline
CID 161278996

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine (CID 28772430) is N'-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine is CCOc1ccc(N(CC)CCN)cc1.
What is the InChIKey of N'-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine?
The InChIKey is OHUWPQPYOMWCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-14(10-9-13)11-5-7-12(8-6-11)15-4-2/h5-8H,3-4,9-10,13H2,1-2H3.
What are the key properties of N'-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine?
N'-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine has a molecular weight of 208.30 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 28772430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).