1-(3-chloro-2-ethoxyphenyl)ethanamine;hydrochloride

C10H15Cl2NO — CID 163284852

IUPAC1-(3-chloro-2-ethoxyphenyl)ethanamine;hydrochloride
SMILESCCOc1c(Cl)cccc1C(C)N.Cl
InChIInChI=1S/C10H14ClNO.ClH/c1-3-13-10-8(7(2)12)5-4-6-9(10)11;/h4-7H,3,12H2,1-2H3;1H
InChIKeyJWDAGYHRCYCUFW-UHFFFAOYSA-N
MW236.14 g/mol
LogP3.18
Rot. Bonds3

About 1-(3-chloro-2-ethoxyphenyl)ethanamine;hydrochloride

1-(3-chloro-2-ethoxyphenyl)ethanamine;hydrochloride (PubChem CID 163284852) has the molecular formula C10H15Cl2NO and a molecular weight of 236.14 g/mol. Its IUPAC name is 1-(3-chloro-2-ethoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-chloro-2-ethoxyphenyl)ethanamine;hydrochloride
PubChem CID163284852
Molecular FormulaC10H15Cl2NO
Molecular Weight236.14 g/mol
Exact Mass235.05
IUPAC Name1-(3-chloro-2-ethoxyphenyl)ethanamine;hydrochloride
SMILESCCOc1c(Cl)cccc1C(C)N.Cl
InChIInChI=1S/C10H14ClNO.ClH/c1-3-13-10-8(7(2)12)5-4-6-9(10)11;/h4-7H,3,12H2,1-2H3;1H
InChIKeyJWDAGYHRCYCUFW-UHFFFAOYSA-N
XLogP3.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-chloro-6-ethoxyphenyl)ethanamine
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(1S)-1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 71074536
1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 53395655
(3-chloro-2-ethoxyphenyl)hydrazine
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1-(2,3-dichlorophenyl)ethanamine chloride
CID 51371192
2-ethoxy-1,3-di(propan-2-yl)benzene
CID 20769463
1-chloro-2-ethoxy-3-propylbenzene
CID 143260119
2-amino-2-(3-chloro-2-methoxyphenyl)ethanol
CID 82608026
ethyl 2-(3-chloro-2-methoxyphenyl)propanoate
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CID 139930191

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-ethoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of 1-(3-chloro-2-ethoxyphenyl)ethanamine;hydrochloride (CID 163284852) is 1-(3-chloro-2-ethoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(3-chloro-2-ethoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for 1-(3-chloro-2-ethoxyphenyl)ethanamine;hydrochloride is CCOc1c(Cl)cccc1C(C)N.Cl.
What is the InChIKey of 1-(3-chloro-2-ethoxyphenyl)ethanamine;hydrochloride?
The InChIKey is JWDAGYHRCYCUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO.ClH/c1-3-13-10-8(7(2)12)5-4-6-9(10)11;/h4-7H,3,12H2,1-2H3;1H.
What are the key properties of 1-(3-chloro-2-ethoxyphenyl)ethanamine;hydrochloride?
1-(3-chloro-2-ethoxyphenyl)ethanamine;hydrochloride has a molecular weight of 236.14 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-ethoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 163284852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).