(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride

C9H13Cl2NO — CID 171234656

IUPAC(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
SMILESCOc1ccc(Cl)cc1[C@H](C)N.Cl
InChIInChI=1S/C9H12ClNO.ClH/c1-6(11)8-5-7(10)3-4-9(8)12-2;/h3-6H,11H2,1-2H3;1H/t6-;/m0./s1
InChIKeyGNUYUXMFDJNYBR-RGMNGODLSA-N
MW222.12 g/mol
LogP2.79
Rot. Bonds2

About (1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride

(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride (PubChem CID 171234656) has the molecular formula C9H13Cl2NO and a molecular weight of 222.12 g/mol. Its IUPAC name is (1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
PubChem CID171234656
Molecular FormulaC9H13Cl2NO
Molecular Weight222.12 g/mol
Exact Mass221.04
IUPAC Name(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
SMILESCOc1ccc(Cl)cc1[C@H](C)N.Cl
InChIInChI=1S/C9H12ClNO.ClH/c1-6(11)8-5-7(10)3-4-9(8)12-2;/h3-6H,11H2,1-2H3;1H/t6-;/m0./s1
InChIKeyGNUYUXMFDJNYBR-RGMNGODLSA-N
XLogP2.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 167530953
(1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)propan-2-ol
CID 130749346
(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023
2-amino-2-(5-chloro-2-methoxyphenyl)acetaldehyde;hydrochloride
CID 87888710
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171244636
(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
CID 171215057
2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 116937510
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 130039782
(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 55116277
1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 66511237
(1R)-1-(5-chloro-2-methoxyphenyl)prop-2-en-1-amine
CID 131139061
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 56971852

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of (1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride (CID 171234656) is (1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride is COc1ccc(Cl)cc1[C@H](C)N.Cl.
What is the InChIKey of (1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride?
The InChIKey is GNUYUXMFDJNYBR-RGMNGODLSA-N. The full InChI is InChI=1S/C9H12ClNO.ClH/c1-6(11)8-5-7(10)3-4-9(8)12-2;/h3-6H,11H2,1-2H3;1H/t6-;/m0./s1.
What are the key properties of (1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride?
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride has a molecular weight of 222.12 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 171234656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).