4-methoxy-1-N-propan-2-ylbenzene-1,3-diamine

C10H16N2O — CID 79678450

IUPAC4-methoxy-1-N-propan-2-ylbenzene-1,3-diamine
SMILESCOc1ccc(NC(C)C)cc1N
InChIInChI=1S/C10H16N2O/c1-7(2)12-8-4-5-10(13-3)9(11)6-8/h4-7,12H,11H2,1-3H3
InChIKeyWGKJLVKHRLGTTN-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.10
Rot. Bonds3

About 4-methoxy-1-N-propan-2-ylbenzene-1,3-diamine

4-methoxy-1-N-propan-2-ylbenzene-1,3-diamine (PubChem CID 79678450) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-methoxy-1-N-propan-2-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-methoxy-1-N-propan-2-ylbenzene-1,3-diamine
PubChem CID79678450
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-methoxy-1-N-propan-2-ylbenzene-1,3-diamine
SMILESCOc1ccc(NC(C)C)cc1N
InChIInChI=1S/C10H16N2O/c1-7(2)12-8-4-5-10(13-3)9(11)6-8/h4-7,12H,11H2,1-3H3
InChIKeyWGKJLVKHRLGTTN-UHFFFAOYSA-N
XLogP2.10
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N-propan-2-ylbenzene-1,3-diamine?
The IUPAC name of 4-methoxy-1-N-propan-2-ylbenzene-1,3-diamine (CID 79678450) is 4-methoxy-1-N-propan-2-ylbenzene-1,3-diamine.
What is the SMILES notation for 4-methoxy-1-N-propan-2-ylbenzene-1,3-diamine?
The canonical SMILES for 4-methoxy-1-N-propan-2-ylbenzene-1,3-diamine is COc1ccc(NC(C)C)cc1N.
What is the InChIKey of 4-methoxy-1-N-propan-2-ylbenzene-1,3-diamine?
The InChIKey is WGKJLVKHRLGTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)12-8-4-5-10(13-3)9(11)6-8/h4-7,12H,11H2,1-3H3.
What are the key properties of 4-methoxy-1-N-propan-2-ylbenzene-1,3-diamine?
4-methoxy-1-N-propan-2-ylbenzene-1,3-diamine has a molecular weight of 180.25 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N-propan-2-ylbenzene-1,3-diamine is sourced from PubChem (CID 79678450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).