N'-methyl-N'-(4-methylpentan-2-yl)-1-(2-methylphenyl)ethane-1,2-diamine

C16H28N2 — CID 55001596

IUPACN'-methyl-N'-(4-methylpentan-2-yl)-1-(2-methylphenyl)ethane-1,2-diamine
SMILESCc1ccccc1C(N)CN(C)C(C)CC(C)C
InChIInChI=1S/C16H28N2/c1-12(2)10-14(4)18(5)11-16(17)15-9-7-6-8-13(15)3/h6-9,12,14,16H,10-11,17H2,1-5H3
InChIKeyBVOXOCRDISPUSY-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.36
Rot. Bonds6

About N'-methyl-N'-(4-methylpentan-2-yl)-1-(2-methylphenyl)ethane-1,2-diamine

N'-methyl-N'-(4-methylpentan-2-yl)-1-(2-methylphenyl)ethane-1,2-diamine (PubChem CID 55001596) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-methyl-N'-(4-methylpentan-2-yl)-1-(2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(4-methylpentan-2-yl)-1-(2-methylphenyl)ethane-1,2-diamine
PubChem CID55001596
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-methyl-N'-(4-methylpentan-2-yl)-1-(2-methylphenyl)ethane-1,2-diamine
SMILESCc1ccccc1C(N)CN(C)C(C)CC(C)C
InChIInChI=1S/C16H28N2/c1-12(2)10-14(4)18(5)11-16(17)15-9-7-6-8-13(15)3/h6-9,12,14,16H,10-11,17H2,1-5H3
InChIKeyBVOXOCRDISPUSY-UHFFFAOYSA-N
XLogP3.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-dimethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 16782044
N'-methyl-N'-(2-methylbutyl)-1-(2-methylphenyl)ethane-1,2-diamine
CID 43295706
N'-(1-cyclopropylethyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 43569043
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 62979148
(1S)-4-methyl-1-(2-methylphenyl)pentan-1-amine;hydrochloride
CID 171229467
N'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62629061
1-(2-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 62624168
2-(3-methylbutoxy)-1-(2-methylphenyl)ethanamine
CID 43184265
1-(3-methoxyphenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 55000916
N'-(4-ethylcyclohexyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 61450749
N'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 43614010
N'-ethyl-1-(2-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55011368

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(4-methylpentan-2-yl)-1-(2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(4-methylpentan-2-yl)-1-(2-methylphenyl)ethane-1,2-diamine (CID 55001596) is N'-methyl-N'-(4-methylpentan-2-yl)-1-(2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(4-methylpentan-2-yl)-1-(2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(4-methylpentan-2-yl)-1-(2-methylphenyl)ethane-1,2-diamine is Cc1ccccc1C(N)CN(C)C(C)CC(C)C.
What is the InChIKey of N'-methyl-N'-(4-methylpentan-2-yl)-1-(2-methylphenyl)ethane-1,2-diamine?
The InChIKey is BVOXOCRDISPUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-12(2)10-14(4)18(5)11-16(17)15-9-7-6-8-13(15)3/h6-9,12,14,16H,10-11,17H2,1-5H3.
What are the key properties of N'-methyl-N'-(4-methylpentan-2-yl)-1-(2-methylphenyl)ethane-1,2-diamine?
N'-methyl-N'-(4-methylpentan-2-yl)-1-(2-methylphenyl)ethane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(4-methylpentan-2-yl)-1-(2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 55001596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).