1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

C14H22N2O — CID 65376730

IUPAC1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCc1cccc(C(CN)NCC2CCCO2)c1
InChIInChI=1S/C14H22N2O/c1-11-4-2-5-12(8-11)14(9-15)16-10-13-6-3-7-17-13/h2,4-5,8,13-14,16H,3,6-7,9-10,15H2,1H3
InChIKeyZSTLXYBATVHLED-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.76
Rot. Bonds5

About 1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 65376730) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID65376730
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCc1cccc(C(CN)NCC2CCCO2)c1
InChIInChI=1S/C14H22N2O/c1-11-4-2-5-12(8-11)14(9-15)16-10-13-6-3-7-17-13/h2,4-5,8,13-14,16H,3,6-7,9-10,15H2,1H3
InChIKeyZSTLXYBATVHLED-UHFFFAOYSA-N
XLogP1.76
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 65378177
1-[4-(difluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 115524394
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65167390
N-(oxolan-2-ylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine
CID 65379231
methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetate
CID 54890052
methyl 2-[3-(difluoromethyl)phenyl]-2-(oxolan-2-ylmethylamino)acetate
CID 115527064
1-(1,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 79584440
3-methyl-N-(oxan-2-ylmethyl)aniline
CID 43403452
1-cyclopropyl-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine
CID 43234864
2-(4-methylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 54889959
(1S)-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 81404067
2-(3-methylphenyl)-4-(oxolan-2-yl)butanoic acid
CID 79436331

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 65376730) is 1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is Cc1cccc(C(CN)NCC2CCCO2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is ZSTLXYBATVHLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-4-2-5-12(8-11)14(9-15)16-10-13-6-3-7-17-13/h2,4-5,8,13-14,16H,3,6-7,9-10,15H2,1H3.
What are the key properties of 1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 234.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 65376730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).