N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine

C13H22N2 — CID 116855714

IUPACN-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCNC(CN)c1cc(C(C)C)ccc1C
InChIInChI=1S/C13H22N2/c1-9(2)11-6-5-10(3)12(7-11)13(8-14)15-4/h5-7,9,13,15H,8,14H2,1-4H3
InChIKeyKXFYUKKVCIZXAZ-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.34
Rot. Bonds4

About N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine

N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine (PubChem CID 116855714) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine
PubChem CID116855714
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCNC(CN)c1cc(C(C)C)ccc1C
InChIInChI=1S/C13H22N2/c1-9(2)11-6-5-10(3)12(7-11)13(8-14)15-4/h5-7,9,13,15H,8,14H2,1-4H3
InChIKeyKXFYUKKVCIZXAZ-UHFFFAOYSA-N
XLogP2.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethanamine
CID 82491046
3-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 82492113
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
2-[5-(difluoromethyl)-2-methylphenyl]propan-1-amine
CID 117288683
(1R)-1-(2-methyl-5-propan-2-ylphenyl)propan-1-amine
CID 55296635
N,N,2-trimethyl-1-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
CID 116904701
3-methyl-1-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 82493939
1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949707
3-amino-N'-methyl-3-(2-methyl-5-propan-2-ylphenyl)propanehydrazide
CID 116849694
3-[methylamino-(2-methyl-5-propan-2-ylphenyl)methyl]aniline
CID 116951893
2-(2-methyl-5-propan-2-ylphenyl)-2-(1H-pyrrol-3-yl)ethanamine
CID 116834468
2-(dimethylamino)-2-(2-methyl-5-propan-2-ylphenyl)ethanol
CID 116857274

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine (CID 116855714) is N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine is CNC(CN)c1cc(C(C)C)ccc1C.
What is the InChIKey of N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine?
The InChIKey is KXFYUKKVCIZXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-9(2)11-6-5-10(3)12(7-11)13(8-14)15-4/h5-7,9,13,15H,8,14H2,1-4H3.
What are the key properties of N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine?
N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 116855714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).