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

C15H24N2O — CID 106313066

IUPAC1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine
SMILESCc1ccc(C(N)CNCC2CCCCO2)cc1
InChIInChI=1S/C15H24N2O/c1-12-5-7-13(8-6-12)15(16)11-17-10-14-4-2-3-9-18-14/h5-8,14-15,17H,2-4,9-11,16H2,1H3
InChIKeyUPLBLOCRFVJNLM-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.15
Rot. Bonds5

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

1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 106313066) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine
PubChem CID106313066
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine
SMILESCc1ccc(C(N)CNCC2CCCCO2)cc1
InChIInChI=1S/C15H24N2O/c1-12-5-7-13(8-6-12)15(16)11-17-10-14-4-2-3-9-18-14/h5-8,14-15,17H,2-4,9-11,16H2,1H3
InChIKeyUPLBLOCRFVJNLM-UHFFFAOYSA-N
XLogP2.15
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 61431684
1-(4-methylphenyl)-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 114172171
(1S)-1-cyclopropyl-1-(4-methylphenyl)-N-[[(2R)-oxan-2-yl]methyl]methanamine
CID 94380091
N'-[(2-ethyloxolan-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine
CID 106313171
1-(1-methylpyrazol-4-yl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 115291177
1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65166872
N'-methyl-1-(4-methylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431491
1-(4-chlorophenyl)-2-(oxan-2-ylmethylamino)ethanol
CID 55014099
N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 16807190
1-cyclopropyl-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine
CID 43234864
N-(4-methylphenyl)-2-(oxan-2-ylmethylamino)acetamide
CID 55014055
1-[(4-chlorophenyl)-(4-methylphenyl)methoxy]-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 143729238

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine (CID 106313066) is 1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine is Cc1ccc(C(N)CNCC2CCCCO2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is UPLBLOCRFVJNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-5-7-13(8-6-12)15(16)11-17-10-14-4-2-3-9-18-14/h5-8,14-15,17H,2-4,9-11,16H2,1H3.
What are the key properties of 1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine?
1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 106313066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).