1-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine

C19H27N3 — CID 43822938

IUPAC1-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
SMILESCCN(c1ccccc1C)C(CN)c1ccc(N(C)C)cc1
InChIInChI=1S/C19H27N3/c1-5-22(18-9-7-6-8-15(18)2)19(14-20)16-10-12-17(13-11-16)21(3)4/h6-13,19H,5,14,20H2,1-4H3
InChIKeyBMXDUUKXBUSEFI-UHFFFAOYSA-N
MW297.45 g/mol
LogP3.59
Rot. Bonds6

About 1-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine

1-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine (PubChem CID 43822938) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
PubChem CID43822938
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC Name1-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine
SMILESCCN(c1ccccc1C)C(CN)c1ccc(N(C)C)cc1
InChIInChI=1S/C19H27N3/c1-5-22(18-9-7-6-8-15(18)2)19(14-20)16-10-12-17(13-11-16)21(3)4/h6-13,19H,5,14,20H2,1-4H3
InChIKeyBMXDUUKXBUSEFI-UHFFFAOYSA-N
XLogP3.59
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine (CID 43822938) is 1-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine is CCN(c1ccccc1C)C(CN)c1ccc(N(C)C)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine?
The InChIKey is BMXDUUKXBUSEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3/c1-5-22(18-9-7-6-8-15(18)2)19(14-20)16-10-12-17(13-11-16)21(3)4/h6-13,19H,5,14,20H2,1-4H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine?
1-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine has a molecular weight of 297.45 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 43822938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).