(2S)-2-[(3,4-dichlorophenyl)methoxy]propan-1-amine

C10H13Cl2NO — CID 95964233

IUPAC(2S)-2-[(3,4-dichlorophenyl)methoxy]propan-1-amine
SMILESC[C@@H](CN)OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2NO/c1-7(5-13)14-6-8-2-3-9(11)10(12)4-8/h2-4,7H,5-6,13H2,1H3/t7-/m0/s1
InChIKeyJPLOJXRGBRVZKN-ZETCQYMHSA-N
MW234.13 g/mol
LogP2.86
Rot. Bonds4

About (2S)-2-[(3,4-dichlorophenyl)methoxy]propan-1-amine

(2S)-2-[(3,4-dichlorophenyl)methoxy]propan-1-amine (PubChem CID 95964233) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is (2S)-2-[(3,4-dichlorophenyl)methoxy]propan-1-amine.

Molecular Properties

Compound Name(2S)-2-[(3,4-dichlorophenyl)methoxy]propan-1-amine
PubChem CID95964233
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name(2S)-2-[(3,4-dichlorophenyl)methoxy]propan-1-amine
SMILESC[C@@H](CN)OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2NO/c1-7(5-13)14-6-8-2-3-9(11)10(12)4-8/h2-4,7H,5-6,13H2,1H3/t7-/m0/s1
InChIKeyJPLOJXRGBRVZKN-ZETCQYMHSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1,2-dichloro-4-(1-iodoprop-2-ynoxymethyl)benzene
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1,2-dichloro-4-(hydroperoxymethyl)benzene
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(3,4-dichlorophenyl)methyl 3-oxobutanoate
CID 3303006
2-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine
CID 82352780
[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 22687493
1-[(3,4-dichlorophenyl)methoxy]-2-methylpropan-2-amine
CID 64535799
1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 63499414
(1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 55190099
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CID 115655535

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,4-dichlorophenyl)methoxy]propan-1-amine?
The IUPAC name of (2S)-2-[(3,4-dichlorophenyl)methoxy]propan-1-amine (CID 95964233) is (2S)-2-[(3,4-dichlorophenyl)methoxy]propan-1-amine.
What is the SMILES notation for (2S)-2-[(3,4-dichlorophenyl)methoxy]propan-1-amine?
The canonical SMILES for (2S)-2-[(3,4-dichlorophenyl)methoxy]propan-1-amine is C[C@@H](CN)OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2S)-2-[(3,4-dichlorophenyl)methoxy]propan-1-amine?
The InChIKey is JPLOJXRGBRVZKN-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c1-7(5-13)14-6-8-2-3-9(11)10(12)4-8/h2-4,7H,5-6,13H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-[(3,4-dichlorophenyl)methoxy]propan-1-amine?
(2S)-2-[(3,4-dichlorophenyl)methoxy]propan-1-amine has a molecular weight of 234.13 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,4-dichlorophenyl)methoxy]propan-1-amine is sourced from PubChem (CID 95964233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).