(2-ethoxyphenyl)methanamine;hydrochloride

C9H14ClNO — CID 24721670

IUPAC(2-ethoxyphenyl)methanamine;hydrochloride
SMILESCCOc1ccccc1CN.Cl
InChIInChI=1S/C9H13NO.ClH/c1-2-11-9-6-4-3-5-8(9)7-10;/h3-6H,2,7,10H2,1H3;1H
InChIKeyCRFNBYQJSHZZHC-UHFFFAOYSA-N
MW187.67 g/mol
LogP1.97
Rot. Bonds3

About (2-ethoxyphenyl)methanamine;hydrochloride

(2-ethoxyphenyl)methanamine;hydrochloride (PubChem CID 24721670) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is (2-ethoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-ethoxyphenyl)methanamine;hydrochloride
PubChem CID24721670
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name(2-ethoxyphenyl)methanamine;hydrochloride
SMILESCCOc1ccccc1CN.Cl
InChIInChI=1S/C9H13NO.ClH/c1-2-11-9-6-4-3-5-8(9)7-10;/h3-6H,2,7,10H2,1H3;1H
InChIKeyCRFNBYQJSHZZHC-UHFFFAOYSA-N
XLogP1.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (2-ethoxyphenyl)methanamine;hydrochloride (CID 24721670) is (2-ethoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (2-ethoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (2-ethoxyphenyl)methanamine;hydrochloride is CCOc1ccccc1CN.Cl.
What is the InChIKey of (2-ethoxyphenyl)methanamine;hydrochloride?
The InChIKey is CRFNBYQJSHZZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.ClH/c1-2-11-9-6-4-3-5-8(9)7-10;/h3-6H,2,7,10H2,1H3;1H.
What are the key properties of (2-ethoxyphenyl)methanamine;hydrochloride?
(2-ethoxyphenyl)methanamine;hydrochloride has a molecular weight of 187.67 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 24721670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).