2-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-1-ol

C12H17Cl2NO — CID 83924661

IUPAC2-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-1-ol
SMILESCC(Cc1cccc(Cl)c1Cl)C(CN)CO
InChIInChI=1S/C12H17Cl2NO/c1-8(10(6-15)7-16)5-9-3-2-4-11(13)12(9)14/h2-4,8,10,16H,5-7,15H2,1H3
InChIKeyAUXOGFJKWQXAGS-UHFFFAOYSA-N
MW262.18 g/mol
LogP2.74
Rot. Bonds5

About 2-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-1-ol

2-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-1-ol (PubChem CID 83924661) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-1-ol
PubChem CID83924661
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name2-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-1-ol
SMILESCC(Cc1cccc(Cl)c1Cl)C(CN)CO
InChIInChI=1S/C12H17Cl2NO/c1-8(10(6-15)7-16)5-9-3-2-4-11(13)12(9)14/h2-4,8,10,16H,5-7,15H2,1H3
InChIKeyAUXOGFJKWQXAGS-UHFFFAOYSA-N
XLogP2.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(aminomethyl)-3-(2,3-dichlorophenyl)propan-1-ol
CID 95001596
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964
4-(2,3-dichlorophenyl)-3-methylbutan-1-amine
CID 83924705
2-[(2,3-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 107309626
4-(2,3-dichlorophenyl)-3-fluoro-2-propan-2-ylbutan-1-amine
CID 107443749
1-(2,3-dichlorophenyl)propane-2-thiol
CID 169111936
2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309628
1,2-dichloro-3-[2-(1-chloroethyl)-3-methylbutyl]benzene
CID 107309498
3-(2,3-dichlorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 107310734
2-benzyl-3-(2,3-dichlorophenyl)propan-1-ol
CID 107310710
2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309611
3-bromo-4-(2,3-dichlorophenyl)butan-2-one
CID 62394098

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-1-ol (CID 83924661) is 2-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-1-ol is CC(Cc1cccc(Cl)c1Cl)C(CN)CO.
What is the InChIKey of 2-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-1-ol?
The InChIKey is AUXOGFJKWQXAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-8(10(6-15)7-16)5-9-3-2-4-11(13)12(9)14/h2-4,8,10,16H,5-7,15H2,1H3.
What are the key properties of 2-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-1-ol?
2-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-1-ol has a molecular weight of 262.18 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 83924661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).