1-(2,3-dichlorophenyl)-2-(methoxymethyl)butan-2-amine

C12H17Cl2NO — CID 107307759

IUPAC1-(2,3-dichlorophenyl)-2-(methoxymethyl)butan-2-amine
SMILESCCC(N)(COC)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C12H17Cl2NO/c1-3-12(15,8-16-2)7-9-5-4-6-10(13)11(9)14/h4-6H,3,7-8,15H2,1-2H3
InChIKeyNEVNWZVIOAEOPV-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.29
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-2-(methoxymethyl)butan-2-amine

1-(2,3-dichlorophenyl)-2-(methoxymethyl)butan-2-amine (PubChem CID 107307759) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-2-(methoxymethyl)butan-2-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-2-(methoxymethyl)butan-2-amine
PubChem CID107307759
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name1-(2,3-dichlorophenyl)-2-(methoxymethyl)butan-2-amine
SMILESCCC(N)(COC)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C12H17Cl2NO/c1-3-12(15,8-16-2)7-9-5-4-6-10(13)11(9)14/h4-6H,3,7-8,15H2,1-2H3
InChIKeyNEVNWZVIOAEOPV-UHFFFAOYSA-N
XLogP3.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-3-fluorophenyl)-2-(methoxymethyl)butan-2-amine
CID 112653223
1-(4-chloro-2-fluorophenyl)-2-(methoxymethyl)butan-2-amine
CID 114853514
1-(2,3-dichlorophenyl)-2,3-dimethylpentan-2-amine
CID 107307745
1-(2,3-dichlorophenyl)-2-pyrrolidin-1-ylpropan-2-amine
CID 84747889
1-(2,3-dichlorophenyl)-2-phenylpropan-2-amine
CID 107307722
1-(2,6-dichlorophenyl)-3-methoxy-2-methylpropan-2-amine
CID 62622775
1-[2-(bromomethyl)-2-phenylbutyl]-2,3-dichlorobenzene
CID 107310802
1-[2,2-bis(chloromethyl)pentyl]-2,3-dichlorobenzene
CID 107310887
3-[(2,3-dichlorophenyl)methyl]-2,4-dimethylpentan-3-ol
CID 112743445
5-amino-1-(2-chlorophenyl)-2-(methoxymethyl)pentan-2-ol
CID 103391426
1-(2,3-dichlorophenyl)-2-(2-fluorophenyl)butan-2-ol
CID 107307633
3-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-2-ol
CID 107310643

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-2-(methoxymethyl)butan-2-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-2-(methoxymethyl)butan-2-amine (CID 107307759) is 1-(2,3-dichlorophenyl)-2-(methoxymethyl)butan-2-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-2-(methoxymethyl)butan-2-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-2-(methoxymethyl)butan-2-amine is CCC(N)(COC)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-2-(methoxymethyl)butan-2-amine?
The InChIKey is NEVNWZVIOAEOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-3-12(15,8-16-2)7-9-5-4-6-10(13)11(9)14/h4-6H,3,7-8,15H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-2-(methoxymethyl)butan-2-amine?
1-(2,3-dichlorophenyl)-2-(methoxymethyl)butan-2-amine has a molecular weight of 262.18 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-2-(methoxymethyl)butan-2-amine is sourced from PubChem (CID 107307759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).