N'-methyl-1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine

C16H26N2O — CID 61431684

IUPACN'-methyl-1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine
SMILESCc1ccc(C(N)CN(C)CC2CCCCO2)cc1
InChIInChI=1S/C16H26N2O/c1-13-6-8-14(9-7-13)16(17)12-18(2)11-15-5-3-4-10-19-15/h6-9,15-16H,3-5,10-12,17H2,1-2H3
InChIKeyNSVWZPVQKXZZBQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.50
Rot. Bonds5

About N'-methyl-1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine

N'-methyl-1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 61431684) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N'-methyl-1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine
PubChem CID61431684
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN'-methyl-1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine
SMILESCc1ccc(C(N)CN(C)CC2CCCCO2)cc1
InChIInChI=1S/C16H26N2O/c1-13-6-8-14(9-7-13)16(17)12-18(2)11-15-5-3-4-10-19-15/h6-9,15-16H,3-5,10-12,17H2,1-2H3
InChIKeyNSVWZPVQKXZZBQ-UHFFFAOYSA-N
XLogP2.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-methyl-1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine with MolForge

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Related Compounds

N'-methyl-1-(4-methylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431491
1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 106313066
1-(3-methoxyphenyl)-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431727
1-(4-fluorophenyl)-N'-methyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 62642970
1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65166872
1-cyclopentyl-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104745209
1-cyclohexyl-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104745207
4-[(1R)-1-aminopropyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114066089
1-(3,5-dimethylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
CID 79039900
N'-ethyl-1-(4-ethylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61434447
N'-(cyclopentylmethyl)-N'-methyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 63631762
1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)butane-1,2-diamine
CID 61431541

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine (CID 61431684) is N'-methyl-1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine is Cc1ccc(C(N)CN(C)CC2CCCCO2)cc1.
What is the InChIKey of N'-methyl-1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is NSVWZPVQKXZZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-6-8-14(9-7-13)16(17)12-18(2)11-15-5-3-4-10-19-15/h6-9,15-16H,3-5,10-12,17H2,1-2H3.
What are the key properties of N'-methyl-1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine?
N'-methyl-1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 61431684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).