N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-(2-methylpropyl)ethane-1,2-diamine

C16H28N2 — CID 113409285

IUPACN'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCc1ccccc1CCN(C)CCNCC(C)C
InChIInChI=1S/C16H28N2/c1-14(2)13-17-10-12-18(4)11-9-16-8-6-5-7-15(16)3/h5-8,14,17H,9-13H2,1-4H3
InChIKeyBBLJIMFHUGFUMO-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.71
Rot. Bonds8

About N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-(2-methylpropyl)ethane-1,2-diamine

N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 113409285) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID113409285
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCc1ccccc1CCN(C)CCNCC(C)C
InChIInChI=1S/C16H28N2/c1-14(2)13-17-10-12-18(4)11-9-16-8-6-5-7-15(16)3/h5-8,14,17H,9-13H2,1-4H3
InChIKeyBBLJIMFHUGFUMO-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-propan-2-ylethane-1,2-diamine
CID 113409141
N'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylpropyl)butane-1,4-diamine
CID 62461881
N,N'-dimethyl-N'-[2-(2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252939
2-methyl-N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 115463583
N'-methyl-N-(2-methylpropyl)-N'-(2-phenylethyl)pentane-1,5-diamine
CID 65486366
N'-[(3-bromo-2-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 107951092
3-methyl-2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol
CID 115252258
N'-methyl-N-(2-methylpropyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 79267629
4-[methyl-[2-(2-methylphenyl)ethyl]amino]butanenitrile
CID 115232074
2,3-dimethyl-4-(2-methylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 81017881
N'-[2-(2-bromophenyl)ethyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 115206136
4-(2-methylphenyl)butan-2-ylhydrazine
CID 105282545

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-(2-methylpropyl)ethane-1,2-diamine (CID 113409285) is N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-(2-methylpropyl)ethane-1,2-diamine is Cc1ccccc1CCN(C)CCNCC(C)C.
What is the InChIKey of N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is BBLJIMFHUGFUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-14(2)13-17-10-12-18(4)11-9-16-8-6-5-7-15(16)3/h5-8,14,17H,9-13H2,1-4H3.
What are the key properties of N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-(2-methylpropyl)ethane-1,2-diamine?
N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 113409285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).