(2S)-1-[(3,5-dichlorophenyl)methoxy]propan-2-amine

C10H13Cl2NO — CID 97057927

IUPAC(2S)-1-[(3,5-dichlorophenyl)methoxy]propan-2-amine
SMILESC[C@H](N)COCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H13Cl2NO/c1-7(13)5-14-6-8-2-9(11)4-10(12)3-8/h2-4,7H,5-6,13H2,1H3/t7-/m0/s1
InChIKeyLVYXTHCZQBMOBO-ZETCQYMHSA-N
MW234.13 g/mol
LogP2.86
Rot. Bonds4

About (2S)-1-[(3,5-dichlorophenyl)methoxy]propan-2-amine

(2S)-1-[(3,5-dichlorophenyl)methoxy]propan-2-amine (PubChem CID 97057927) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is (2S)-1-[(3,5-dichlorophenyl)methoxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[(3,5-dichlorophenyl)methoxy]propan-2-amine
PubChem CID97057927
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name(2S)-1-[(3,5-dichlorophenyl)methoxy]propan-2-amine
SMILESC[C@H](N)COCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H13Cl2NO/c1-7(13)5-14-6-8-2-9(11)4-10(12)3-8/h2-4,7H,5-6,13H2,1H3/t7-/m0/s1
InChIKeyLVYXTHCZQBMOBO-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

(2S)-1-[(3-tert-butyl-5-chloro-4-fluorophenyl)methoxy]propan-2-amine
CID 90210500
1-[(2,4-dichlorophenyl)methoxy]propan-2-amine
CID 82475739
(2R)-1-[(3,4-dimethylphenyl)methoxy]propan-2-amine
CID 97057920
(2S)-1-[[4-(difluoromethoxy)phenyl]methoxy]propan-2-amine
CID 97058293
(2R)-1-[(2,6-dichlorophenyl)methoxy]propan-2-amine
CID 97057932
5-[[(2R)-2-aminopropoxy]methyl]-2-(trifluoromethyl)aniline
CID 155114769
1-(3-chloro-5-methoxyphenoxy)propan-2-amine
CID 141019725
[4-[(3,5-dichlorophenyl)methoxymethyl]-2-fluorophenyl]-dimethylborane
CID 58429947
(2R)-1-[(2,4-dimethylphenyl)methoxy]propan-2-amine
CID 96656753
(2R)-1-[(4-bromo-3-nitrophenyl)methoxy]propan-2-amine
CID 166595541
2-[[3-[(3,5-dichlorophenyl)methoxy]-1,1-diphenylpropan-2-yl]-methylamino]acetic acid
CID 19046451
(2S)-4-(3-chloro-5-methylphenyl)butan-2-amine
CID 130649433

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3,5-dichlorophenyl)methoxy]propan-2-amine?
The IUPAC name of (2S)-1-[(3,5-dichlorophenyl)methoxy]propan-2-amine (CID 97057927) is (2S)-1-[(3,5-dichlorophenyl)methoxy]propan-2-amine.
What is the SMILES notation for (2S)-1-[(3,5-dichlorophenyl)methoxy]propan-2-amine?
The canonical SMILES for (2S)-1-[(3,5-dichlorophenyl)methoxy]propan-2-amine is C[C@H](N)COCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (2S)-1-[(3,5-dichlorophenyl)methoxy]propan-2-amine?
The InChIKey is LVYXTHCZQBMOBO-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c1-7(13)5-14-6-8-2-9(11)4-10(12)3-8/h2-4,7H,5-6,13H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1-[(3,5-dichlorophenyl)methoxy]propan-2-amine?
(2S)-1-[(3,5-dichlorophenyl)methoxy]propan-2-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)-1-[(3,5-dichlorophenyl)methoxy]propan-2-amine is sourced from PubChem (CID 97057927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).