2-(aminomethyl)-2-cyclopropyl-3-(2,3-dichlorophenyl)propan-1-ol

C13H17Cl2NO — CID 107309951

IUPAC2-(aminomethyl)-2-cyclopropyl-3-(2,3-dichlorophenyl)propan-1-ol
SMILESNCC(CO)(Cc1cccc(Cl)c1Cl)C1CC1
InChIInChI=1S/C13H17Cl2NO/c14-11-3-1-2-9(12(11)15)6-13(7-16,8-17)10-4-5-10/h1-3,10,17H,4-8,16H2
InChIKeyUNPOXRWUGRCDAS-UHFFFAOYSA-N
MW274.19 g/mol
LogP2.88
Rot. Bonds5

About 2-(aminomethyl)-2-cyclopropyl-3-(2,3-dichlorophenyl)propan-1-ol

2-(aminomethyl)-2-cyclopropyl-3-(2,3-dichlorophenyl)propan-1-ol (PubChem CID 107309951) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 2-(aminomethyl)-2-cyclopropyl-3-(2,3-dichlorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-cyclopropyl-3-(2,3-dichlorophenyl)propan-1-ol
PubChem CID107309951
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name2-(aminomethyl)-2-cyclopropyl-3-(2,3-dichlorophenyl)propan-1-ol
SMILESNCC(CO)(Cc1cccc(Cl)c1Cl)C1CC1
InChIInChI=1S/C13H17Cl2NO/c14-11-3-1-2-9(12(11)15)6-13(7-16,8-17)10-4-5-10/h1-3,10,17H,4-8,16H2
InChIKeyUNPOXRWUGRCDAS-UHFFFAOYSA-N
XLogP2.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-3-(2,3-dichlorophenyl)-2-methylpropan-1-amine
CID 107309812
2-(aminomethyl)-3-(5-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol
CID 106506528
2-(aminomethyl)-2-cyclopropyl-3-(3-methylphenyl)propan-1-ol
CID 106506492
1-(4-tert-butylcyclohexyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307912
3-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-2-ol
CID 107310643
1-amino-3-(3-chloro-2-fluorophenyl)-2-cyclopropylpropan-2-ol
CID 102857003
1-amino-3-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol
CID 112653170
2-[(3-chloro-2-fluorophenyl)methyl]-2-(1,1-dioxothiolan-3-yl)propane-1,3-diol
CID 102863916
4-tert-butyl-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-amine
CID 107307083
1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888
2-[(2,3-dichlorophenyl)methyl]-2-methylbut-3-en-1-ol
CID 107310753
2-(2,3-dichlorophenyl)-1-(oxolan-3-yl)ethanone
CID 107307902

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-cyclopropyl-3-(2,3-dichlorophenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-cyclopropyl-3-(2,3-dichlorophenyl)propan-1-ol (CID 107309951) is 2-(aminomethyl)-2-cyclopropyl-3-(2,3-dichlorophenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-cyclopropyl-3-(2,3-dichlorophenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-cyclopropyl-3-(2,3-dichlorophenyl)propan-1-ol is NCC(CO)(Cc1cccc(Cl)c1Cl)C1CC1.
What is the InChIKey of 2-(aminomethyl)-2-cyclopropyl-3-(2,3-dichlorophenyl)propan-1-ol?
The InChIKey is UNPOXRWUGRCDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c14-11-3-1-2-9(12(11)15)6-13(7-16,8-17)10-4-5-10/h1-3,10,17H,4-8,16H2.
What are the key properties of 2-(aminomethyl)-2-cyclopropyl-3-(2,3-dichlorophenyl)propan-1-ol?
2-(aminomethyl)-2-cyclopropyl-3-(2,3-dichlorophenyl)propan-1-ol has a molecular weight of 274.19 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-cyclopropyl-3-(2,3-dichlorophenyl)propan-1-ol is sourced from PubChem (CID 107309951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).