N'-[(2-ethyloxolan-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine

C16H26N2O — CID 106313171

IUPACN'-[(2-ethyloxolan-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCCC1OCCC1CNCC(N)c1ccc(C)cc1
InChIInChI=1S/C16H26N2O/c1-3-16-14(8-9-19-16)10-18-11-15(17)13-6-4-12(2)5-7-13/h4-7,14-16,18H,3,8-11,17H2,1-2H3
InChIKeyVHTWOIMHEKLHQE-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.40
Rot. Bonds6

About N'-[(2-ethyloxolan-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine

N'-[(2-ethyloxolan-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 106313171) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N'-[(2-ethyloxolan-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-ethyloxolan-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine
PubChem CID106313171
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN'-[(2-ethyloxolan-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCCC1OCCC1CNCC(N)c1ccc(C)cc1
InChIInChI=1S/C16H26N2O/c1-3-16-14(8-9-19-16)10-18-11-15(17)13-6-4-12(2)5-7-13/h4-7,14-16,18H,3,8-11,17H2,1-2H3
InChIKeyVHTWOIMHEKLHQE-UHFFFAOYSA-N
XLogP2.40
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 106313066
1-(4-methylphenyl)-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 114172171
N-[(2,6-dimethylphenyl)methyl]-1-(2-ethyloxolan-3-yl)methanamine
CID 114105327
N-[(2-ethyloxan-3-yl)methyl]-2-methylpropan-1-amine
CID 79365306
methyl 2-acetamido-3-[(2-ethyloxolan-3-yl)methylamino]propanoate
CID 114106525
(2R,3S)-3-ethyl-2-[(4-methylphenyl)methyl]oxolane
CID 11481131
1-(4-methylphenyl)-N'-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 106313152
2-[[(2-ethyloxolan-3-yl)methylamino]methyl]benzonitrile
CID 114105332
N'-(3-methylcyclobutyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 106313130
N'-[(5-ethylthiophen-2-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine
CID 106313190
N'-[(1-methylcyclobutyl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine
CID 106313172
N-[(2-bromo-5-chlorophenyl)methyl]-1-(2-ethyloxolan-3-yl)methanamine
CID 114105088

Frequently Asked Questions

What is the IUPAC name of N'-[(2-ethyloxolan-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-[(2-ethyloxolan-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine (CID 106313171) is N'-[(2-ethyloxolan-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(2-ethyloxolan-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(2-ethyloxolan-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine is CCC1OCCC1CNCC(N)c1ccc(C)cc1.
What is the InChIKey of N'-[(2-ethyloxolan-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is VHTWOIMHEKLHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-16-14(8-9-19-16)10-18-11-15(17)13-6-4-12(2)5-7-13/h4-7,14-16,18H,3,8-11,17H2,1-2H3.
What are the key properties of N'-[(2-ethyloxolan-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine?
N'-[(2-ethyloxolan-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-ethyloxolan-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 106313171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).