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

C13H19Cl2NO — CID 65187721

IUPAC2-(aminomethyl)-1-(2,3-dichlorophenyl)-4-methylpentan-1-ol
SMILESCC(C)CC(CN)C(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H19Cl2NO/c1-8(2)6-9(7-16)13(17)10-4-3-5-11(14)12(10)15/h3-5,8-9,13,17H,6-7,16H2,1-2H3
InChIKeyZPRJVBGWWKXFLW-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.65
Rot. Bonds5

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

2-(aminomethyl)-1-(2,3-dichlorophenyl)-4-methylpentan-1-ol (PubChem CID 65187721) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(2,3-dichlorophenyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(2,3-dichlorophenyl)-4-methylpentan-1-ol
PubChem CID65187721
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name2-(aminomethyl)-1-(2,3-dichlorophenyl)-4-methylpentan-1-ol
SMILESCC(C)CC(CN)C(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H19Cl2NO/c1-8(2)6-9(7-16)13(17)10-4-3-5-11(14)12(10)15/h3-5,8-9,13,17H,6-7,16H2,1-2H3
InChIKeyZPRJVBGWWKXFLW-UHFFFAOYSA-N
XLogP3.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-1-(2-chloro-3-fluorophenyl)-4-methylpentan-1-ol
CID 81460938
3-amino-1-(2,3-dichlorophenyl)propane-1,2-diol
CID 170827625
1-(2,3-dichlorophenyl)-3-methylbutan-1-ol
CID 62789609
5-amino-4-(2,3-dichlorophenyl)pentan-2-ol
CID 81422224
(1S,2R)-1-amino-1-(2,3-dichlorophenyl)-4-methylpentan-2-ol;hydrochloride
CID 171162648
(1R,2R)-1-(2,3-dichlorophenyl)propane-1,2-diol;(1S,2S)-1-(2,3-dichlorophenyl)propane-1,2-diol;methane
CID 158468254
3-amino-1-(2,3-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187784
[1-(2,3-dichlorophenyl)-3-methylbutyl]hydrazine
CID 105198986
2-(aminomethyl)-1-(3-chloro-2-fluorophenyl)butan-1-ol
CID 81262394
2-(aminomethyl)-4-(2,3-dichlorophenyl)pentan-1-ol
CID 83924659
5-(2,3-dichlorophenyl)hexane-2,3-diol
CID 83924753
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)propan-1-ol
CID 65186723

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(2,3-dichlorophenyl)-4-methylpentan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(2,3-dichlorophenyl)-4-methylpentan-1-ol (CID 65187721) is 2-(aminomethyl)-1-(2,3-dichlorophenyl)-4-methylpentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(2,3-dichlorophenyl)-4-methylpentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(2,3-dichlorophenyl)-4-methylpentan-1-ol is CC(C)CC(CN)C(O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(aminomethyl)-1-(2,3-dichlorophenyl)-4-methylpentan-1-ol?
The InChIKey is ZPRJVBGWWKXFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-8(2)6-9(7-16)13(17)10-4-3-5-11(14)12(10)15/h3-5,8-9,13,17H,6-7,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(2,3-dichlorophenyl)-4-methylpentan-1-ol?
2-(aminomethyl)-1-(2,3-dichlorophenyl)-4-methylpentan-1-ol has a molecular weight of 276.21 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(2,3-dichlorophenyl)-4-methylpentan-1-ol is sourced from PubChem (CID 65187721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).