N'-(2,6-dimethylphenyl)-N-(3-propoxyphenyl)ethane-1,2-diamine

C19H26N2O — CID 54810103

IUPACN'-(2,6-dimethylphenyl)-N-(3-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1cccc(NCCNc2c(C)cccc2C)c1
InChIInChI=1S/C19H26N2O/c1-4-13-22-18-10-6-9-17(14-18)20-11-12-21-19-15(2)7-5-8-16(19)3/h5-10,14,20-21H,4,11-13H2,1-3H3
InChIKeyMTCXHMJWVLZWNR-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.62
Rot. Bonds8

About N'-(2,6-dimethylphenyl)-N-(3-propoxyphenyl)ethane-1,2-diamine

N'-(2,6-dimethylphenyl)-N-(3-propoxyphenyl)ethane-1,2-diamine (PubChem CID 54810103) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N'-(2,6-dimethylphenyl)-N-(3-propoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,6-dimethylphenyl)-N-(3-propoxyphenyl)ethane-1,2-diamine
PubChem CID54810103
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN'-(2,6-dimethylphenyl)-N-(3-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1cccc(NCCNc2c(C)cccc2C)c1
InChIInChI=1S/C19H26N2O/c1-4-13-22-18-10-6-9-17(14-18)20-11-12-21-19-15(2)7-5-8-16(19)3/h5-10,14,20-21H,4,11-13H2,1-3H3
InChIKeyMTCXHMJWVLZWNR-UHFFFAOYSA-N
XLogP4.62
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,6-dimethylphenyl)-N-(3-heptoxyphenyl)ethane-1,2-diamine
CID 54809475
N-(4-fluorophenyl)-N'-(3-propoxyphenyl)ethane-1,2-diamine
CID 54805927
N-[2-(2-methylphenyl)ethyl]-3-propoxyaniline
CID 54800496
N'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
CID 54808068
N-[(3-fluoro-4-methylphenyl)methyl]-3-propoxyaniline
CID 63645864
3-butoxy-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54800729
N-(3-methoxy-3-methylbutyl)-3-propoxyaniline
CID 102975708
N'-(2-ethyl-6-methylphenyl)-N-[3-(2-methylpropoxy)phenyl]ethane-1,2-diamine
CID 54810109
N'-(2,6-dimethylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 54806140
3-butoxy-N-octylaniline
CID 54800685
2,6-dimethyl-N-[3-(3-methylphenoxy)propyl]aniline
CID 82096121
N'-(3-heptoxyphenyl)-N-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54808334

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dimethylphenyl)-N-(3-propoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,6-dimethylphenyl)-N-(3-propoxyphenyl)ethane-1,2-diamine (CID 54810103) is N'-(2,6-dimethylphenyl)-N-(3-propoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,6-dimethylphenyl)-N-(3-propoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,6-dimethylphenyl)-N-(3-propoxyphenyl)ethane-1,2-diamine is CCCOc1cccc(NCCNc2c(C)cccc2C)c1.
What is the InChIKey of N'-(2,6-dimethylphenyl)-N-(3-propoxyphenyl)ethane-1,2-diamine?
The InChIKey is MTCXHMJWVLZWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-4-13-22-18-10-6-9-17(14-18)20-11-12-21-19-15(2)7-5-8-16(19)3/h5-10,14,20-21H,4,11-13H2,1-3H3.
What are the key properties of N'-(2,6-dimethylphenyl)-N-(3-propoxyphenyl)ethane-1,2-diamine?
N'-(2,6-dimethylphenyl)-N-(3-propoxyphenyl)ethane-1,2-diamine has a molecular weight of 298.43 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dimethylphenyl)-N-(3-propoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54810103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).