N'-[(2-methylphenyl)methyl]-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine

C15H24N2O — CID 112501596

IUPACN'-[(2-methylphenyl)methyl]-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCc1ccccc1CN(CCN)CC1CCCO1
InChIInChI=1S/C15H24N2O/c1-13-5-2-3-6-14(13)11-17(9-8-16)12-15-7-4-10-18-15/h2-3,5-6,15H,4,7-12,16H2,1H3
InChIKeyGPANQMPQLINUGV-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.93
Rot. Bonds6

About N'-[(2-methylphenyl)methyl]-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine

N'-[(2-methylphenyl)methyl]-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 112501596) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N'-[(2-methylphenyl)methyl]-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-methylphenyl)methyl]-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID112501596
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN'-[(2-methylphenyl)methyl]-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCc1ccccc1CN(CCN)CC1CCCO1
InChIInChI=1S/C15H24N2O/c1-13-5-2-3-6-14(13)11-17(9-8-16)12-15-7-4-10-18-15/h2-3,5-6,15H,4,7-12,16H2,1H3
InChIKeyGPANQMPQLINUGV-UHFFFAOYSA-N
XLogP1.93
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-benzyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61014418
2-[[oxan-2-ylmethyl(propyl)amino]methyl]aniline
CID 43591944
(2R)-1-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenoxypropan-2-ol
CID 129428443
methyl 3-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propanoate
CID 78964080
N-(2-fluoro-5-methylphenyl)-2-[(2-methylphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
CID 124755387
2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63787027
N-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62894833
2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 72881292
(2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]propan-2-ol
CID 129424339
2-[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 94402680
2-(2-aminoethyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline
CID 55234846
2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl-[[(2S)-oxolan-2-yl]methyl]amino]acetic acid
CID 97285148

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methylphenyl)methyl]-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-[(2-methylphenyl)methyl]-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 112501596) is N'-[(2-methylphenyl)methyl]-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(2-methylphenyl)methyl]-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(2-methylphenyl)methyl]-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine is Cc1ccccc1CN(CCN)CC1CCCO1.
What is the InChIKey of N'-[(2-methylphenyl)methyl]-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is GPANQMPQLINUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13-5-2-3-6-14(13)11-17(9-8-16)12-15-7-4-10-18-15/h2-3,5-6,15H,4,7-12,16H2,1H3.
What are the key properties of N'-[(2-methylphenyl)methyl]-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
N'-[(2-methylphenyl)methyl]-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methylphenyl)methyl]-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 112501596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).