(1-aminocyclopropyl)-(2-chloro-5-fluoro-4-methylphenyl)methanol

C11H13ClFNO — CID 116836252

IUPAC(1-aminocyclopropyl)-(2-chloro-5-fluoro-4-methylphenyl)methanol
SMILESCc1cc(Cl)c(C(O)C2(N)CC2)cc1F
InChIInChI=1S/C11H13ClFNO/c1-6-4-8(12)7(5-9(6)13)10(15)11(14)2-3-11/h4-5,10,15H,2-3,14H2,1H3
InChIKeyAIACHOFUSMTUNM-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.31
Rot. Bonds2

About (1-aminocyclopropyl)-(2-chloro-5-fluoro-4-methylphenyl)methanol

(1-aminocyclopropyl)-(2-chloro-5-fluoro-4-methylphenyl)methanol (PubChem CID 116836252) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is (1-aminocyclopropyl)-(2-chloro-5-fluoro-4-methylphenyl)methanol.

Molecular Properties

Compound Name(1-aminocyclopropyl)-(2-chloro-5-fluoro-4-methylphenyl)methanol
PubChem CID116836252
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name(1-aminocyclopropyl)-(2-chloro-5-fluoro-4-methylphenyl)methanol
SMILESCc1cc(Cl)c(C(O)C2(N)CC2)cc1F
InChIInChI=1S/C11H13ClFNO/c1-6-4-8(12)7(5-9(6)13)10(15)11(14)2-3-11/h4-5,10,15H,2-3,14H2,1H3
InChIKeyAIACHOFUSMTUNM-UHFFFAOYSA-N
XLogP2.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-1-(2-chloro-5-fluoro-4-methylphenyl)propan-2-ol
CID 116859639
(2-chloro-4-fluoro-5-methylphenyl)-(1-phenylcyclopropyl)methanol
CID 81044939
(1-aminocyclopropyl)-(5-chloro-2-methoxy-4-methylphenyl)methanol
CID 116836167
(2-chloro-4-fluoro-5-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol
CID 81045388
1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanol
CID 116830259
3-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propanamide
CID 116850996
1-(2-chloro-4-fluoro-5-methylphenyl)-2,2-difluoroethanol
CID 104632767
1-(2-chloro-5-fluoro-4-methylphenyl)-3-methylsulfanylpropan-1-ol
CID 116831182
[1-(2-chloro-5-fluoro-4-methylphenyl)cyclopropyl]methanol
CID 116963511
1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanamine
CID 116830356
1-[(2-chloro-5-fluoro-4-methylphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
CID 116958109
2-amino-2-(2-chloro-5-fluoro-4-methylphenyl)-N'-methylacetohydrazide
CID 116849471

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-(2-chloro-5-fluoro-4-methylphenyl)methanol?
The IUPAC name of (1-aminocyclopropyl)-(2-chloro-5-fluoro-4-methylphenyl)methanol (CID 116836252) is (1-aminocyclopropyl)-(2-chloro-5-fluoro-4-methylphenyl)methanol.
What is the SMILES notation for (1-aminocyclopropyl)-(2-chloro-5-fluoro-4-methylphenyl)methanol?
The canonical SMILES for (1-aminocyclopropyl)-(2-chloro-5-fluoro-4-methylphenyl)methanol is Cc1cc(Cl)c(C(O)C2(N)CC2)cc1F.
What is the InChIKey of (1-aminocyclopropyl)-(2-chloro-5-fluoro-4-methylphenyl)methanol?
The InChIKey is AIACHOFUSMTUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-6-4-8(12)7(5-9(6)13)10(15)11(14)2-3-11/h4-5,10,15H,2-3,14H2,1H3.
What are the key properties of (1-aminocyclopropyl)-(2-chloro-5-fluoro-4-methylphenyl)methanol?
(1-aminocyclopropyl)-(2-chloro-5-fluoro-4-methylphenyl)methanol has a molecular weight of 229.68 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-(2-chloro-5-fluoro-4-methylphenyl)methanol is sourced from PubChem (CID 116836252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).