3-methyl-4-propoxyaniline;hydrochloride

C10H16ClNO — CID 46735591

IUPAC3-methyl-4-propoxyaniline;hydrochloride
SMILESCCCOc1ccc(N)cc1C.Cl
InChIInChI=1S/C10H15NO.ClH/c1-3-6-12-10-5-4-9(11)7-8(10)2;/h4-5,7H,3,6,11H2,1-2H3;1H
InChIKeyDXSNQRIUGOAKSD-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.79
Rot. Bonds3

About 3-methyl-4-propoxyaniline;hydrochloride

3-methyl-4-propoxyaniline;hydrochloride (PubChem CID 46735591) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 3-methyl-4-propoxyaniline;hydrochloride.

Molecular Properties

Compound Name3-methyl-4-propoxyaniline;hydrochloride
PubChem CID46735591
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name3-methyl-4-propoxyaniline;hydrochloride
SMILESCCCOc1ccc(N)cc1C.Cl
InChIInChI=1S/C10H15NO.ClH/c1-3-6-12-10-5-4-9(11)7-8(10)2;/h4-5,7H,3,6,11H2,1-2H3;1H
InChIKeyDXSNQRIUGOAKSD-UHFFFAOYSA-N
XLogP2.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propoxyaniline;hydrochloride?
The IUPAC name of 3-methyl-4-propoxyaniline;hydrochloride (CID 46735591) is 3-methyl-4-propoxyaniline;hydrochloride.
What is the SMILES notation for 3-methyl-4-propoxyaniline;hydrochloride?
The canonical SMILES for 3-methyl-4-propoxyaniline;hydrochloride is CCCOc1ccc(N)cc1C.Cl.
What is the InChIKey of 3-methyl-4-propoxyaniline;hydrochloride?
The InChIKey is DXSNQRIUGOAKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-3-6-12-10-5-4-9(11)7-8(10)2;/h4-5,7H,3,6,11H2,1-2H3;1H.
What are the key properties of 3-methyl-4-propoxyaniline;hydrochloride?
3-methyl-4-propoxyaniline;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propoxyaniline;hydrochloride is sourced from PubChem (CID 46735591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).