(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride

C10H15Cl2NO — CID 171215023

IUPAC(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
SMILESCC[C@@H](N)c1cc(Cl)ccc1OC.Cl
InChIInChI=1S/C10H14ClNO.ClH/c1-3-9(12)8-6-7(11)4-5-10(8)13-2;/h4-6,9H,3,12H2,1-2H3;1H/t9-;/m1./s1
InChIKeySFEDLZBGDGEAOF-SBSPUUFOSA-N
MW236.14 g/mol
LogP3.18
Rot. Bonds3

About (1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride

(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride (PubChem CID 171215023) has the molecular formula C10H15Cl2NO and a molecular weight of 236.14 g/mol. Its IUPAC name is (1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
PubChem CID171215023
Molecular FormulaC10H15Cl2NO
Molecular Weight236.14 g/mol
Exact Mass235.05
IUPAC Name(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
SMILESCC[C@@H](N)c1cc(Cl)ccc1OC.Cl
InChIInChI=1S/C10H14ClNO.ClH/c1-3-9(12)8-6-7(11)4-5-10(8)13-2;/h4-6,9H,3,12H2,1-2H3;1H/t9-;/m1./s1
InChIKeySFEDLZBGDGEAOF-SBSPUUFOSA-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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(3S)-3-amino-3-(5-chloro-2-methoxyphenyl)propanenitrile;hydrochloride
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(1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride
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1-(5-chloro-2-methoxyphenyl)-2,2-diethoxyethanamine
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1-(5-chloro-2-methoxyphenyl)-3-methylsulfanylpropan-1-amine
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CID 53484779

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride (CID 171215023) is (1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride is CC[C@@H](N)c1cc(Cl)ccc1OC.Cl.
What is the InChIKey of (1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride?
The InChIKey is SFEDLZBGDGEAOF-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H14ClNO.ClH/c1-3-9(12)8-6-7(11)4-5-10(8)13-2;/h4-6,9H,3,12H2,1-2H3;1H/t9-;/m1./s1.
What are the key properties of (1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride?
(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;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 (1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171215023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).