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

C10H13Cl2NO — CID 82475739

IUPAC1-[(2,4-dichlorophenyl)methoxy]propan-2-amine
SMILESCC(N)COCc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2NO/c1-7(13)5-14-6-8-2-3-9(11)4-10(8)12/h2-4,7H,5-6,13H2,1H3
InChIKeyBPGVZGDEHOGTEV-UHFFFAOYSA-N
MW234.13 g/mol
LogP2.86
Rot. Bonds4

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

1-[(2,4-dichlorophenyl)methoxy]propan-2-amine (PubChem CID 82475739) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methoxy]propan-2-amine.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methoxy]propan-2-amine
PubChem CID82475739
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name1-[(2,4-dichlorophenyl)methoxy]propan-2-amine
SMILESCC(N)COCc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2NO/c1-7(13)5-14-6-8-2-3-9(11)4-10(8)12/h2-4,7H,5-6,13H2,1H3
InChIKeyBPGVZGDEHOGTEV-UHFFFAOYSA-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

2,4-dichloro-1-(2-methylbutoxymethyl)benzene
CID 91723382
2-[(2,4-dichlorophenyl)methoxy]ethanamine
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2,4-dichloro-1-(propoxymethyl)benzene
CID 527851
(2S)-1-[(3,5-dichlorophenyl)methoxy]propan-2-amine
CID 97057927
4-chloro-2-methyl-1-(2-methylpropoxymethyl)benzene
CID 91716374
1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 60880694
1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine
CID 62395202
5-amino-1-(2,4-dichlorophenyl)hexan-2-one
CID 116571543
2-[(2,4-dichlorophenyl)methoxy]-N-ethylethanamine
CID 62336671
1-[(2,4-dichlorophenyl)methoxy]-N,N-diethylethanamine
CID 70293179
(1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 78944107
(2,4-dichlorophenyl)methyl (2R)-2-(carbamoylamino)propanoate
CID 2375336

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methoxy]propan-2-amine?
The IUPAC name of 1-[(2,4-dichlorophenyl)methoxy]propan-2-amine (CID 82475739) is 1-[(2,4-dichlorophenyl)methoxy]propan-2-amine.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methoxy]propan-2-amine?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methoxy]propan-2-amine is CC(N)COCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methoxy]propan-2-amine?
The InChIKey is BPGVZGDEHOGTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c1-7(13)5-14-6-8-2-3-9(11)4-10(8)12/h2-4,7H,5-6,13H2,1H3.
What are the key properties of 1-[(2,4-dichlorophenyl)methoxy]propan-2-amine?
1-[(2,4-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 1-[(2,4-dichlorophenyl)methoxy]propan-2-amine is sourced from PubChem (CID 82475739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).