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

C15H24N2O — CID 43611052

IUPACN'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)ethane-1,2-diamine
SMILESCc1ccccc1C(N)CN(C)C1CCOCC1
InChIInChI=1S/C15H24N2O/c1-12-5-3-4-6-14(12)15(16)11-17(2)13-7-9-18-10-8-13/h3-6,13,15H,7-11,16H2,1-2H3
InChIKeyOIBNSTVHNLXXFW-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.11
Rot. Bonds4

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

N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 43611052) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)ethane-1,2-diamine
PubChem CID43611052
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)ethane-1,2-diamine
SMILESCc1ccccc1C(N)CN(C)C1CCOCC1
InChIInChI=1S/C15H24N2O/c1-12-5-3-4-6-14(12)15(16)11-17(2)13-7-9-18-10-8-13/h3-6,13,15H,7-11,16H2,1-2H3
InChIKeyOIBNSTVHNLXXFW-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine
CID 62629255
N'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 43614010
N'-(4-ethylcyclohexyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 61450749
N'-methyl-1-naphthalen-1-yl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82734629
1-(2,4-dimethylphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82735465
N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62630764
N',N'-dimethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 16782044
1-(2-methylphenyl)-2-(oxan-4-ylsulfanyl)ethanamine
CID 64625961
N'-(1-cyclopropylethyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 43569043
N-[2-[(1R)-1-aminopropyl]phenyl]-N-methyloxan-4-amine
CID 113358796
N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine
CID 62629425
(S)-(2-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171242964

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)ethane-1,2-diamine (CID 43611052) is N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)ethane-1,2-diamine is Cc1ccccc1C(N)CN(C)C1CCOCC1.
What is the InChIKey of N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is OIBNSTVHNLXXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-5-3-4-6-14(12)15(16)11-17(2)13-7-9-18-10-8-13/h3-6,13,15H,7-11,16H2,1-2H3.
What are the key properties of N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)ethane-1,2-diamine?
N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 43611052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).