1-(3,5-dimethylphenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine

C19H26N2 — CID 65483708

IUPAC1-(3,5-dimethylphenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
SMILESCc1cc(C)cc(C(CN)N(C)CCc2ccccc2)c1
InChIInChI=1S/C19H26N2/c1-15-11-16(2)13-18(12-15)19(14-20)21(3)10-9-17-7-5-4-6-8-17/h4-8,11-13,19H,9-10,14,20H2,1-3H3
InChIKeyBYALAXNIQJADHW-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.48
Rot. Bonds6

About 1-(3,5-dimethylphenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine

1-(3,5-dimethylphenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine (PubChem CID 65483708) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
PubChem CID65483708
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name1-(3,5-dimethylphenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
SMILESCc1cc(C)cc(C(CN)N(C)CCc2ccccc2)c1
InChIInChI=1S/C19H26N2/c1-15-11-16(2)13-18(12-15)19(14-20)21(3)10-9-17-7-5-4-6-8-17/h4-8,11-13,19H,9-10,14,20H2,1-3H3
InChIKeyBYALAXNIQJADHW-UHFFFAOYSA-N
XLogP3.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine (CID 65483708) is 1-(3,5-dimethylphenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine is Cc1cc(C)cc(C(CN)N(C)CCc2ccccc2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine?
The InChIKey is BYALAXNIQJADHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-15-11-16(2)13-18(12-15)19(14-20)21(3)10-9-17-7-5-4-6-8-17/h4-8,11-13,19H,9-10,14,20H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine?
1-(3,5-dimethylphenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine has a molecular weight of 282.43 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 65483708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).