N-(oxolan-3-yl)-N'-phenylethane-1,2-diamine

C12H18N2O — CID 115693261

IUPACN-(oxolan-3-yl)-N'-phenylethane-1,2-diamine
SMILESc1ccc(NCCNC2CCOC2)cc1
InChIInChI=1S/C12H18N2O/c1-2-4-11(5-3-1)13-7-8-14-12-6-9-15-10-12/h1-5,12-14H,6-10H2
InChIKeyDGSBSLXCKCHUEG-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.48
Rot. Bonds5

About N-(oxolan-3-yl)-N'-phenylethane-1,2-diamine

N-(oxolan-3-yl)-N'-phenylethane-1,2-diamine (PubChem CID 115693261) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(oxolan-3-yl)-N'-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-(oxolan-3-yl)-N'-phenylethane-1,2-diamine
PubChem CID115693261
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(oxolan-3-yl)-N'-phenylethane-1,2-diamine
SMILESc1ccc(NCCNC2CCOC2)cc1
InChIInChI=1S/C12H18N2O/c1-2-4-11(5-3-1)13-7-8-14-12-6-9-15-10-12/h1-5,12-14H,6-10H2
InChIKeyDGSBSLXCKCHUEG-UHFFFAOYSA-N
XLogP1.48
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.48
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

N-cycloheptyl-N'-phenylethane-1,2-diamine
CID 61149751
N-(2-phenylsulfanylethyl)oxolan-3-amine
CID 63335095
N-(3-phenoxypropyl)oxolan-3-amine
CID 63335382
N'-(3-bromophenyl)-N-(oxan-4-yl)ethane-1,2-diamine
CID 75499211
N-(2,2-diphenylethyl)oxolan-3-amine
CID 103748167
N-(2-methyl-2-phenylpropyl)oxolan-3-amine
CID 63335150
(3R)-N-[(1-phenylcyclopentyl)methyl]oxolan-3-amine
CID 124513857
2-[(oxolan-3-ylamino)methyl]benzoic acid
CID 103258434
N'-(oxolan-3-yl)propane-1,3-diamine
CID 63335365
N-[2-(oxan-4-ylsulfanyl)ethyl]aniline
CID 62990711
N-(3,3,3-trifluoropropyl)oxolan-3-amine
CID 63335110
N-(2-phenylethyl)oxan-4-amine;hydrochloride
CID 71299312

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-yl)-N'-phenylethane-1,2-diamine?
The IUPAC name of N-(oxolan-3-yl)-N'-phenylethane-1,2-diamine (CID 115693261) is N-(oxolan-3-yl)-N'-phenylethane-1,2-diamine.
What is the SMILES notation for N-(oxolan-3-yl)-N'-phenylethane-1,2-diamine?
The canonical SMILES for N-(oxolan-3-yl)-N'-phenylethane-1,2-diamine is c1ccc(NCCNC2CCOC2)cc1.
What is the InChIKey of N-(oxolan-3-yl)-N'-phenylethane-1,2-diamine?
The InChIKey is DGSBSLXCKCHUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-4-11(5-3-1)13-7-8-14-12-6-9-15-10-12/h1-5,12-14H,6-10H2.
What are the key properties of N-(oxolan-3-yl)-N'-phenylethane-1,2-diamine?
N-(oxolan-3-yl)-N'-phenylethane-1,2-diamine has a molecular weight of 206.29 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-yl)-N'-phenylethane-1,2-diamine is sourced from PubChem (CID 115693261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).