1-(4-tert-butyl-2-methylphenyl)-N,N-dimethylethane-1,2-diamine

C15H26N2 — CID 82496475

IUPAC1-(4-tert-butyl-2-methylphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCc1cc(C(C)(C)C)ccc1C(CN)N(C)C
InChIInChI=1S/C15H26N2/c1-11-9-12(15(2,3)4)7-8-13(11)14(10-16)17(5)6/h7-9,14H,10,16H2,1-6H3
InChIKeyHDKWPNPYLLUPOT-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.85
Rot. Bonds3

About 1-(4-tert-butyl-2-methylphenyl)-N,N-dimethylethane-1,2-diamine

1-(4-tert-butyl-2-methylphenyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 82496475) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-(4-tert-butyl-2-methylphenyl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-tert-butyl-2-methylphenyl)-N,N-dimethylethane-1,2-diamine
PubChem CID82496475
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-(4-tert-butyl-2-methylphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCc1cc(C(C)(C)C)ccc1C(CN)N(C)C
InChIInChI=1S/C15H26N2/c1-11-9-12(15(2,3)4)7-8-13(11)14(10-16)17(5)6/h7-9,14H,10,16H2,1-6H3
InChIKeyHDKWPNPYLLUPOT-UHFFFAOYSA-N
XLogP2.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-tert-butyl-2-methylphenyl)-N,N-dimethylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-tert-butyl-2-methylphenyl)-N,N-dimethylbutane-1,4-diamine
CID 112517060
1-(5-tert-butyl-2-methylphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904659
1-(4-tert-butylphenyl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905440
1-(4-tert-butyl-2-methylphenyl)-2-chloroethanamine
CID 116937590
1-(2-methoxy-4,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82286999
N,N,3,3-tetramethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116905769
2-N-[(5-tert-butyl-2-methylphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 117039981
(1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 93279766
1-(4-chloro-2-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 114842824
1-(4-tert-butyl-2-methylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948125
3-N-[(5-tert-butyl-2-methylphenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119824
1-(2,4-dimethylphenyl)-N-methyl-N-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 55000948

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2-methylphenyl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of 1-(4-tert-butyl-2-methylphenyl)-N,N-dimethylethane-1,2-diamine (CID 82496475) is 1-(4-tert-butyl-2-methylphenyl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(4-tert-butyl-2-methylphenyl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(4-tert-butyl-2-methylphenyl)-N,N-dimethylethane-1,2-diamine is Cc1cc(C(C)(C)C)ccc1C(CN)N(C)C.
What is the InChIKey of 1-(4-tert-butyl-2-methylphenyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is HDKWPNPYLLUPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-11-9-12(15(2,3)4)7-8-13(11)14(10-16)17(5)6/h7-9,14H,10,16H2,1-6H3.
What are the key properties of 1-(4-tert-butyl-2-methylphenyl)-N,N-dimethylethane-1,2-diamine?
1-(4-tert-butyl-2-methylphenyl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2-methylphenyl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 82496475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).