N'-(4-ethoxy-3-methylphenyl)-N-methylethane-1,2-diamine

C12H20N2O — CID 115195723

IUPACN'-(4-ethoxy-3-methylphenyl)-N-methylethane-1,2-diamine
SMILESCCOc1ccc(NCCNC)cc1C
InChIInChI=1S/C12H20N2O/c1-4-15-12-6-5-11(9-10(12)2)14-8-7-13-3/h5-6,9,13-14H,4,7-8H2,1-3H3
InChIKeyMXNKOANIYSOVCD-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.03
Rot. Bonds6

About N'-(4-ethoxy-3-methylphenyl)-N-methylethane-1,2-diamine

N'-(4-ethoxy-3-methylphenyl)-N-methylethane-1,2-diamine (PubChem CID 115195723) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N'-(4-ethoxy-3-methylphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-ethoxy-3-methylphenyl)-N-methylethane-1,2-diamine
PubChem CID115195723
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN'-(4-ethoxy-3-methylphenyl)-N-methylethane-1,2-diamine
SMILESCCOc1ccc(NCCNC)cc1C
InChIInChI=1S/C12H20N2O/c1-4-15-12-6-5-11(9-10(12)2)14-8-7-13-3/h5-6,9,13-14H,4,7-8H2,1-3H3
InChIKeyMXNKOANIYSOVCD-UHFFFAOYSA-N
XLogP2.03
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloroethyl)-4-ethoxy-3-methylaniline
CID 115214594
4-ethoxy-N-ethyl-3-methylaniline
CID 82490653
methyl 2-(4-ethoxy-3-methylanilino)acetate
CID 115232665
ethyl 2-(4-ethoxy-3-methylanilino)acetate
CID 115257196
3-(4-ethoxy-3-methylphenyl)-N-methylpropan-1-amine
CID 95439947
N-(4-ethoxy-3-methylphenyl)-2,2-dimethylbutane-1,4-diamine
CID 115204209
N'-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 54808363
N'-(3,4-diethoxyphenyl)propane-1,3-diamine
CID 62505868
N-(4-ethoxy-3-methylphenyl)-2-methylbutane-1,4-diamine
CID 115202314
4-(4-ethoxy-3-methylanilino)-3,3-dimethylbutanoic acid
CID 115220199
N-[(3-aminophenyl)methyl]-4-ethoxy-3-methylaniline
CID 115211777
N-cyclobutyl-4-ethoxy-3-methylaniline
CID 115884846

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxy-3-methylphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N'-(4-ethoxy-3-methylphenyl)-N-methylethane-1,2-diamine (CID 115195723) is N'-(4-ethoxy-3-methylphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-(4-ethoxy-3-methylphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N'-(4-ethoxy-3-methylphenyl)-N-methylethane-1,2-diamine is CCOc1ccc(NCCNC)cc1C.
What is the InChIKey of N'-(4-ethoxy-3-methylphenyl)-N-methylethane-1,2-diamine?
The InChIKey is MXNKOANIYSOVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-15-12-6-5-11(9-10(12)2)14-8-7-13-3/h5-6,9,13-14H,4,7-8H2,1-3H3.
What are the key properties of N'-(4-ethoxy-3-methylphenyl)-N-methylethane-1,2-diamine?
N'-(4-ethoxy-3-methylphenyl)-N-methylethane-1,2-diamine has a molecular weight of 208.30 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxy-3-methylphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 115195723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).