N'-(2,5-dimethylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

C15H24N2O — CID 54807972

IUPACN'-(2,5-dimethylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCc1ccc(C)c(NCCNCC2CCCO2)c1
InChIInChI=1S/C15H24N2O/c1-12-5-6-13(2)15(10-12)17-8-7-16-11-14-4-3-9-18-14/h5-6,10,14,16-17H,3-4,7-9,11H2,1-2H3
InChIKeyWFTXPWGNLBJZPU-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.48
Rot. Bonds6

About N'-(2,5-dimethylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

N'-(2,5-dimethylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 54807972) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N'-(2,5-dimethylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,5-dimethylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID54807972
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN'-(2,5-dimethylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCc1ccc(C)c(NCCNCC2CCCO2)c1
InChIInChI=1S/C15H24N2O/c1-12-5-6-13(2)15(10-12)17-8-7-16-11-14-4-3-9-18-14/h5-6,10,14,16-17H,3-4,7-9,11H2,1-2H3
InChIKeyWFTXPWGNLBJZPU-UHFFFAOYSA-N
XLogP2.48
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 43403445
N-(2,5-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016066
N'-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54809610
N-(2,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209144
4-N-(2,5-dimethylphenyl)-2-methyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870079
N-[(2-fluoro-5-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 62515858
N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 16807190
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 63195312
4-methyl-2-(oxan-2-ylmethylamino)benzonitrile
CID 62307968
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline
CID 28585976
5-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 43104324
5-methyl-N-(oxolan-2-ylmethyl)-2-(propylamino)benzamide
CID 62509999

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,5-dimethylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 54807972) is N'-(2,5-dimethylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,5-dimethylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,5-dimethylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is Cc1ccc(C)c(NCCNCC2CCCO2)c1.
What is the InChIKey of N'-(2,5-dimethylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is WFTXPWGNLBJZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-5-6-13(2)15(10-12)17-8-7-16-11-14-4-3-9-18-14/h5-6,10,14,16-17H,3-4,7-9,11H2,1-2H3.
What are the key properties of N'-(2,5-dimethylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
N'-(2,5-dimethylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 54807972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).