2-(2-chlorophenoxy)propan-1-amine;hydrochloride

C9H13Cl2NO — CID 54595660

IUPAC2-(2-chlorophenoxy)propan-1-amine;hydrochloride
SMILESCC(CN)Oc1ccccc1Cl.Cl
InChIInChI=1S/C9H12ClNO.ClH/c1-7(6-11)12-9-5-3-2-4-8(9)10;/h2-5,7H,6,11H2,1H3;1H
InChIKeyPBKZMUHFVOVZJY-UHFFFAOYSA-N
MW222.12 g/mol
LogP2.49
Rot. Bonds3

About 2-(2-chlorophenoxy)propan-1-amine;hydrochloride

2-(2-chlorophenoxy)propan-1-amine;hydrochloride (PubChem CID 54595660) has the molecular formula C9H13Cl2NO and a molecular weight of 222.12 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenoxy)propan-1-amine;hydrochloride
PubChem CID54595660
Molecular FormulaC9H13Cl2NO
Molecular Weight222.12 g/mol
Exact Mass221.04
IUPAC Name2-(2-chlorophenoxy)propan-1-amine;hydrochloride
SMILESCC(CN)Oc1ccccc1Cl.Cl
InChIInChI=1S/C9H12ClNO.ClH/c1-7(6-11)12-9-5-3-2-4-8(9)10;/h2-5,7H,6,11H2,1H3;1H
InChIKeyPBKZMUHFVOVZJY-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)propan-1-amine;hydrochloride?
The IUPAC name of 2-(2-chlorophenoxy)propan-1-amine;hydrochloride (CID 54595660) is 2-(2-chlorophenoxy)propan-1-amine;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenoxy)propan-1-amine;hydrochloride?
The canonical SMILES for 2-(2-chlorophenoxy)propan-1-amine;hydrochloride is CC(CN)Oc1ccccc1Cl.Cl.
What is the InChIKey of 2-(2-chlorophenoxy)propan-1-amine;hydrochloride?
The InChIKey is PBKZMUHFVOVZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO.ClH/c1-7(6-11)12-9-5-3-2-4-8(9)10;/h2-5,7H,6,11H2,1H3;1H.
What are the key properties of 2-(2-chlorophenoxy)propan-1-amine;hydrochloride?
2-(2-chlorophenoxy)propan-1-amine;hydrochloride has a molecular weight of 222.12 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)propan-1-amine;hydrochloride is sourced from PubChem (CID 54595660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).