N-(4-tert-butyl-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine

C15H26N2 — CID 58816279

IUPACN-(4-tert-butyl-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCc1cc(NCCN(C)C)ccc1C(C)(C)C
InChIInChI=1S/C15H26N2/c1-12-11-13(16-9-10-17(5)6)7-8-14(12)15(2,3)4/h7-8,11,16H,9-10H2,1-6H3
InChIKeyAMDMXCJNTITEOU-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.27
Rot. Bonds4

About N-(4-tert-butyl-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine

N-(4-tert-butyl-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 58816279) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-(4-tert-butyl-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-tert-butyl-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID58816279
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-(4-tert-butyl-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCc1cc(NCCN(C)C)ccc1C(C)(C)C
InChIInChI=1S/C15H26N2/c1-12-11-13(16-9-10-17(5)6)7-8-14(12)15(2,3)4/h7-8,11,16H,9-10H2,1-6H3
InChIKeyAMDMXCJNTITEOU-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-dimethyl-N-naphthalen-2-ylethane-1,2-diamine
CID 43401306
N-(5,6-ditert-butyl-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 162423998
N',N'-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethane-1,2-diamine
CID 82539703
1-N-[3-(dimethylamino)propyl]-4-methylbenzene-1,3-diamine
CID 62910379
N-(5-fluoro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28582966
N',N'-dimethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
CID 98784045
N-(2,5-dimethylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28585840
N-[4-(aminomethyl)phenyl]-N',N'-dimethylethane-1,2-diamine
CID 22693559
N-[3-(chloromethyl)phenyl]-N',N'-dimethylethane-1,2-diamine
CID 65023741
N,N-dimethyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 54940880
N',N'-dimethyl-N-(3-nitrosophenyl)ethane-1,2-diamine
CID 89305977
N-(4-bromo-3-methylphenyl)-N',N'-diethylethane-1,2-diamine
CID 28574811

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(4-tert-butyl-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine (CID 58816279) is N-(4-tert-butyl-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(4-tert-butyl-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(4-tert-butyl-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine is Cc1cc(NCCN(C)C)ccc1C(C)(C)C.
What is the InChIKey of N-(4-tert-butyl-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is AMDMXCJNTITEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12-11-13(16-9-10-17(5)6)7-8-14(12)15(2,3)4/h7-8,11,16H,9-10H2,1-6H3.
What are the key properties of N-(4-tert-butyl-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine?
N-(4-tert-butyl-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 58816279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).