N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-propan-2-ylethane-1,2-diamine

C15H26N2 — CID 113409141

IUPACN'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-propan-2-ylethane-1,2-diamine
SMILESCc1ccccc1CCN(C)CCNC(C)C
InChIInChI=1S/C15H26N2/c1-13(2)16-10-12-17(4)11-9-15-8-6-5-7-14(15)3/h5-8,13,16H,9-12H2,1-4H3
InChIKeyQQSIDWDYKDLNFA-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.47
Rot. Bonds7

About N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-propan-2-ylethane-1,2-diamine

N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-propan-2-ylethane-1,2-diamine (PubChem CID 113409141) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-propan-2-ylethane-1,2-diamine
PubChem CID113409141
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-propan-2-ylethane-1,2-diamine
SMILESCc1ccccc1CCN(C)CCNC(C)C
InChIInChI=1S/C15H26N2/c1-13(2)16-10-12-17(4)11-9-15-8-6-5-7-14(15)3/h5-8,13,16H,9-12H2,1-4H3
InChIKeyQQSIDWDYKDLNFA-UHFFFAOYSA-N
XLogP2.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-(2-methylpropyl)ethane-1,2-diamine
CID 113409285
N'-[(2-bromo-3-methylphenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 114023812
3-methyl-2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol
CID 115252258
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62556302
4-[methyl-[2-(2-methylphenyl)ethyl]amino]butanenitrile
CID 115232074
N,N'-dimethyl-N'-[2-(2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252939
N'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine
CID 65486365
N'-methyl-N'-(2-phenylsulfanylethyl)-N-propan-2-ylethane-1,2-diamine
CID 79221911
3,3-dimethyl-4-(2-methylphenyl)-N-propan-2-ylbutan-1-amine
CID 81022087
N-(dicyclopropylmethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62557701
N'-ethyl-N'-(2-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 60843081
N'-methyl-N'-(2-methylphenyl)-N-propan-2-ylbutane-1,4-diamine
CID 55069248

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-propan-2-ylethane-1,2-diamine (CID 113409141) is N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-propan-2-ylethane-1,2-diamine is Cc1ccccc1CCN(C)CCNC(C)C.
What is the InChIKey of N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-propan-2-ylethane-1,2-diamine?
The InChIKey is QQSIDWDYKDLNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-13(2)16-10-12-17(4)11-9-15-8-6-5-7-14(15)3/h5-8,13,16H,9-12H2,1-4H3.
What are the key properties of N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-propan-2-ylethane-1,2-diamine?
N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-propan-2-ylethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.47, 7 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-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 113409141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).