(3-propoxyphenyl)methanamine;hydrochloride

C10H16ClNO — CID 21071540

IUPAC(3-propoxyphenyl)methanamine;hydrochloride
SMILESCCCOc1cccc(CN)c1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-2-6-12-10-5-3-4-9(7-10)8-11;/h3-5,7H,2,6,8,11H2,1H3;1H
InChIKeyPGWOBIDEBKQWRC-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.36
Rot. Bonds4

About (3-propoxyphenyl)methanamine;hydrochloride

(3-propoxyphenyl)methanamine;hydrochloride (PubChem CID 21071540) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is (3-propoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-propoxyphenyl)methanamine;hydrochloride
PubChem CID21071540
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name(3-propoxyphenyl)methanamine;hydrochloride
SMILESCCCOc1cccc(CN)c1.Cl
InChIInChI=1S/C10H15NO.ClH/c1-2-6-12-10-5-3-4-9(7-10)8-11;/h3-5,7H,2,6,8,11H2,1H3;1H
InChIKeyPGWOBIDEBKQWRC-UHFFFAOYSA-N
XLogP2.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-propoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (3-propoxyphenyl)methanamine;hydrochloride (CID 21071540) is (3-propoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (3-propoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (3-propoxyphenyl)methanamine;hydrochloride is CCCOc1cccc(CN)c1.Cl.
What is the InChIKey of (3-propoxyphenyl)methanamine;hydrochloride?
The InChIKey is PGWOBIDEBKQWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-2-6-12-10-5-3-4-9(7-10)8-11;/h3-5,7H,2,6,8,11H2,1H3;1H.
What are the key properties of (3-propoxyphenyl)methanamine;hydrochloride?
(3-propoxyphenyl)methanamine;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 21071540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).