2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine;hydrochloride

C11H17Cl2NO — CID 2757621

IUPAC2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine;hydrochloride
SMILESCC(C)Oc1ccc(CCN)cc1Cl.Cl
InChIInChI=1S/C11H16ClNO.ClH/c1-8(2)14-11-4-3-9(5-6-13)7-10(11)12;/h3-4,7-8H,5-6,13H2,1-2H3;1H
InChIKeyGRQAMXLCDFWHPN-UHFFFAOYSA-N
MW250.17 g/mol
LogP3.05
Rot. Bonds4

About 2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine;hydrochloride

2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine;hydrochloride (PubChem CID 2757621) has the molecular formula C11H17Cl2NO and a molecular weight of 250.17 g/mol. Its IUPAC name is 2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine;hydrochloride
PubChem CID2757621
Molecular FormulaC11H17Cl2NO
Molecular Weight250.17 g/mol
Exact Mass249.07
IUPAC Name2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine;hydrochloride
SMILESCC(C)Oc1ccc(CCN)cc1Cl.Cl
InChIInChI=1S/C11H16ClNO.ClH/c1-8(2)14-11-4-3-9(5-6-13)7-10(11)12;/h3-4,7-8H,5-6,13H2,1-2H3;1H
InChIKeyGRQAMXLCDFWHPN-UHFFFAOYSA-N
XLogP3.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine;hydrochloride?
The IUPAC name of 2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine;hydrochloride (CID 2757621) is 2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine;hydrochloride is CC(C)Oc1ccc(CCN)cc1Cl.Cl.
What is the InChIKey of 2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine;hydrochloride?
The InChIKey is GRQAMXLCDFWHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO.ClH/c1-8(2)14-11-4-3-9(5-6-13)7-10(11)12;/h3-4,7-8H,5-6,13H2,1-2H3;1H.
What are the key properties of 2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine;hydrochloride?
2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine;hydrochloride has a molecular weight of 250.17 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-propan-2-yloxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 2757621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).