[(1S,2R)-1-(aminomethyl)-2-(2,4-difluorophenyl)cyclopropyl]methanol

C11H13F2NO — CID 95002787

IUPAC[(1S,2R)-1-(aminomethyl)-2-(2,4-difluorophenyl)cyclopropyl]methanol
SMILESNC[C@]1(CO)C[C@H]1c1ccc(F)cc1F
InChIInChI=1S/C11H13F2NO/c12-7-1-2-8(10(13)3-7)9-4-11(9,5-14)6-15/h1-3,9,15H,4-6,14H2/t9-,11-/m0/s1
InChIKeyABOJKCPQWAENOQ-ONGXEEELSA-N
MW213.23 g/mol
LogP1.39
Rot. Bonds3

About [(1S,2R)-1-(aminomethyl)-2-(2,4-difluorophenyl)cyclopropyl]methanol

[(1S,2R)-1-(aminomethyl)-2-(2,4-difluorophenyl)cyclopropyl]methanol (PubChem CID 95002787) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is [(1S,2R)-1-(aminomethyl)-2-(2,4-difluorophenyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2R)-1-(aminomethyl)-2-(2,4-difluorophenyl)cyclopropyl]methanol
PubChem CID95002787
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name[(1S,2R)-1-(aminomethyl)-2-(2,4-difluorophenyl)cyclopropyl]methanol
SMILESNC[C@]1(CO)C[C@H]1c1ccc(F)cc1F
InChIInChI=1S/C11H13F2NO/c12-7-1-2-8(10(13)3-7)9-4-11(9,5-14)6-15/h1-3,9,15H,4-6,14H2/t9-,11-/m0/s1
InChIKeyABOJKCPQWAENOQ-ONGXEEELSA-N
XLogP1.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2S)-1-(aminomethyl)-2-(2-chloro-6-fluorophenyl)cyclopropyl]methanol
CID 95002743
[(1R,2R)-1-(aminomethyl)-2-(2-chlorophenyl)cyclopropyl]methanol
CID 95002734
[(1S,2S)-1-(aminomethyl)-2-phenylcyclopropyl]methanol;hydrochloride
CID 178189931
[1-(aminomethyl)-2-(furan-3-yl)cyclopropyl]methanol
CID 63208056
[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]methanamine
CID 94556815
[1-(aminomethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]methanol
CID 64510953
[1-(aminomethyl)-2-(2,4,6-trimethylphenyl)cyclopropyl]methanol
CID 63041822
3-(2,4-difluorophenyl)-2-ethyl-2-methylcyclobutan-1-ol
CID 81415013
2-(aminomethyl)-2-[(2,4-difluorophenyl)methyl]cyclohexan-1-ol
CID 65393607
[(2R)-2-(aminomethyl)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanol
CID 135193000
[1-(aminomethyl)-3-ethylcyclohexyl]-(2,4-difluorophenyl)methanol
CID 79138448
3-(2,4-difluorophenyl)-2-methyloxiran-2-ol
CID 57033159

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-1-(aminomethyl)-2-(2,4-difluorophenyl)cyclopropyl]methanol?
The IUPAC name of [(1S,2R)-1-(aminomethyl)-2-(2,4-difluorophenyl)cyclopropyl]methanol (CID 95002787) is [(1S,2R)-1-(aminomethyl)-2-(2,4-difluorophenyl)cyclopropyl]methanol.
What is the SMILES notation for [(1S,2R)-1-(aminomethyl)-2-(2,4-difluorophenyl)cyclopropyl]methanol?
The canonical SMILES for [(1S,2R)-1-(aminomethyl)-2-(2,4-difluorophenyl)cyclopropyl]methanol is NC[C@]1(CO)C[C@H]1c1ccc(F)cc1F.
What is the InChIKey of [(1S,2R)-1-(aminomethyl)-2-(2,4-difluorophenyl)cyclopropyl]methanol?
The InChIKey is ABOJKCPQWAENOQ-ONGXEEELSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-7-1-2-8(10(13)3-7)9-4-11(9,5-14)6-15/h1-3,9,15H,4-6,14H2/t9-,11-/m0/s1.
What are the key properties of [(1S,2R)-1-(aminomethyl)-2-(2,4-difluorophenyl)cyclopropyl]methanol?
[(1S,2R)-1-(aminomethyl)-2-(2,4-difluorophenyl)cyclopropyl]methanol has a molecular weight of 213.23 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-1-(aminomethyl)-2-(2,4-difluorophenyl)cyclopropyl]methanol is sourced from PubChem (CID 95002787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).