1-N-(oxolan-3-yl)-3-propan-2-yloxybenzene-1,2-diamine

C13H20N2O2 — CID 113393400

IUPAC1-N-(oxolan-3-yl)-3-propan-2-yloxybenzene-1,2-diamine
SMILESCC(C)Oc1cccc(NC2CCOC2)c1N
InChIInChI=1S/C13H20N2O2/c1-9(2)17-12-5-3-4-11(13(12)14)15-10-6-7-16-8-10/h3-5,9-10,15H,6-8,14H2,1-2H3
InChIKeyBPUWZCXTYVFNBO-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.26
Rot. Bonds4

About 1-N-(oxolan-3-yl)-3-propan-2-yloxybenzene-1,2-diamine

1-N-(oxolan-3-yl)-3-propan-2-yloxybenzene-1,2-diamine (PubChem CID 113393400) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-N-(oxolan-3-yl)-3-propan-2-yloxybenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(oxolan-3-yl)-3-propan-2-yloxybenzene-1,2-diamine
PubChem CID113393400
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-N-(oxolan-3-yl)-3-propan-2-yloxybenzene-1,2-diamine
SMILESCC(C)Oc1cccc(NC2CCOC2)c1N
InChIInChI=1S/C13H20N2O2/c1-9(2)17-12-5-3-4-11(13(12)14)15-10-6-7-16-8-10/h3-5,9-10,15H,6-8,14H2,1-2H3
InChIKeyBPUWZCXTYVFNBO-UHFFFAOYSA-N
XLogP2.26
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)oxolan-3-amine
CID 14978001
1-N-(oxan-4-yl)-3-propoxybenzene-1,2-diamine
CID 113393325
2-amino-3-(oxolan-3-ylamino)benzamide
CID 115546663
N-(3-bromo-2-methylphenyl)oxolan-3-amine
CID 115884928
1-N-(cyclobutylmethyl)-3-propan-2-yloxybenzene-1,2-diamine
CID 113393307
3-chloro-1-N-(oxan-3-yl)benzene-1,2-diamine
CID 104834544
N-(2,3-dichlorophenyl)oxolan-3-amine
CID 63331897
1-N-methyl-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-diamine
CID 117027474
N-(2-ethylsulfanylphenyl)oxolan-3-amine
CID 63335369
N-(2-fluorophenyl)oxolan-3-amine
CID 63332099
(3S)-N-[3-[(2S)-butan-2-yl]oxyphenyl]oxolan-3-amine
CID 98509677
N-(2-methoxy-5-methylphenyl)oxolan-3-amine
CID 63331725

Frequently Asked Questions

What is the IUPAC name of 1-N-(oxolan-3-yl)-3-propan-2-yloxybenzene-1,2-diamine?
The IUPAC name of 1-N-(oxolan-3-yl)-3-propan-2-yloxybenzene-1,2-diamine (CID 113393400) is 1-N-(oxolan-3-yl)-3-propan-2-yloxybenzene-1,2-diamine.
What is the SMILES notation for 1-N-(oxolan-3-yl)-3-propan-2-yloxybenzene-1,2-diamine?
The canonical SMILES for 1-N-(oxolan-3-yl)-3-propan-2-yloxybenzene-1,2-diamine is CC(C)Oc1cccc(NC2CCOC2)c1N.
What is the InChIKey of 1-N-(oxolan-3-yl)-3-propan-2-yloxybenzene-1,2-diamine?
The InChIKey is BPUWZCXTYVFNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)17-12-5-3-4-11(13(12)14)15-10-6-7-16-8-10/h3-5,9-10,15H,6-8,14H2,1-2H3.
What are the key properties of 1-N-(oxolan-3-yl)-3-propan-2-yloxybenzene-1,2-diamine?
1-N-(oxolan-3-yl)-3-propan-2-yloxybenzene-1,2-diamine has a molecular weight of 236.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(oxolan-3-yl)-3-propan-2-yloxybenzene-1,2-diamine is sourced from PubChem (CID 113393400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).