3-amino-2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)propan-1-ol

C13H17Cl2NO — CID 65184515

IUPAC3-amino-2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)propan-1-ol
SMILESCC1CC1C(O)C(CN)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-7-5-8(7)13(17)9(6-16)12-10(14)3-2-4-11(12)15/h2-4,7-9,13,17H,5-6,16H2,1H3
InChIKeyPLOBKGOTHWJUAM-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.05
Rot. Bonds4

About 3-amino-2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)propan-1-ol

3-amino-2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)propan-1-ol (PubChem CID 65184515) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 3-amino-2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)propan-1-ol
PubChem CID65184515
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name3-amino-2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)propan-1-ol
SMILESCC1CC1C(O)C(CN)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-7-5-8(7)13(17)9(6-16)12-10(14)3-2-4-11(12)15/h2-4,7-9,13,17H,5-6,16H2,1H3
InChIKeyPLOBKGOTHWJUAM-UHFFFAOYSA-N
XLogP3.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(2-chloro-6-fluorophenyl)-1-cyclopropylpropan-1-ol
CID 65186484
3-amino-2-(2,6-dichlorophenyl)-1-(oxan-4-yl)propan-1-ol
CID 65185077
3-amino-2-(3-bromophenyl)-1-(2-methylcyclopropyl)propan-1-ol
CID 65187919
3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 65184824
3-amino-1-(3-chloro-5-methylphenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 81316223
3-amino-2-(2,6-dichlorophenyl)-1-(3-methylphenyl)propan-1-ol
CID 65184520
1-amino-2-(2,6-dichlorophenyl)nonan-3-ol
CID 114754167
3-amino-2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)propan-1-ol
CID 65189712
(2-chloro-6-fluorophenyl)-(2-methylcyclopropyl)methanamine
CID 130512104
3-amino-1-(2,6-dichlorophenyl)propane-1,2-diol
CID 170827623
3-amino-2-(2,6-dichlorophenyl)-1-(2,5-dimethylphenyl)propan-1-ol
CID 65184470
(2-chlorophenyl)-(2-methylcyclopropyl)methanol
CID 65421692

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)propan-1-ol?
The IUPAC name of 3-amino-2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)propan-1-ol (CID 65184515) is 3-amino-2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)propan-1-ol is CC1CC1C(O)C(CN)c1c(Cl)cccc1Cl.
What is the InChIKey of 3-amino-2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)propan-1-ol?
The InChIKey is PLOBKGOTHWJUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-7-5-8(7)13(17)9(6-16)12-10(14)3-2-4-11(12)15/h2-4,7-9,13,17H,5-6,16H2,1H3.
What are the key properties of 3-amino-2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)propan-1-ol?
3-amino-2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)propan-1-ol has a molecular weight of 274.19 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)propan-1-ol is sourced from PubChem (CID 65184515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).