[(1R,2R)-1-(aminomethyl)-2-(2-chlorophenyl)cyclopropyl]methanol

C11H14ClNO — CID 95002734

IUPAC[(1R,2R)-1-(aminomethyl)-2-(2-chlorophenyl)cyclopropyl]methanol
SMILESNC[C@@]1(CO)C[C@H]1c1ccccc1Cl
InChIInChI=1S/C11H14ClNO/c12-10-4-2-1-3-8(10)9-5-11(9,6-13)7-14/h1-4,9,14H,5-7,13H2/t9-,11+/m0/s1
InChIKeyHBXDEOLXDVKMAL-GXSJLCMTSA-N
MW211.69 g/mol
LogP1.76
Rot. Bonds3

About [(1R,2R)-1-(aminomethyl)-2-(2-chlorophenyl)cyclopropyl]methanol

[(1R,2R)-1-(aminomethyl)-2-(2-chlorophenyl)cyclopropyl]methanol (PubChem CID 95002734) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is [(1R,2R)-1-(aminomethyl)-2-(2-chlorophenyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2R)-1-(aminomethyl)-2-(2-chlorophenyl)cyclopropyl]methanol
PubChem CID95002734
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name[(1R,2R)-1-(aminomethyl)-2-(2-chlorophenyl)cyclopropyl]methanol
SMILESNC[C@@]1(CO)C[C@H]1c1ccccc1Cl
InChIInChI=1S/C11H14ClNO/c12-10-4-2-1-3-8(10)9-5-11(9,6-13)7-14/h1-4,9,14H,5-7,13H2/t9-,11+/m0/s1
InChIKeyHBXDEOLXDVKMAL-GXSJLCMTSA-N
XLogP1.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-(aminomethyl)-2-(2-chlorophenyl)cyclopropyl]methanol?
The IUPAC name of [(1R,2R)-1-(aminomethyl)-2-(2-chlorophenyl)cyclopropyl]methanol (CID 95002734) is [(1R,2R)-1-(aminomethyl)-2-(2-chlorophenyl)cyclopropyl]methanol.
What is the SMILES notation for [(1R,2R)-1-(aminomethyl)-2-(2-chlorophenyl)cyclopropyl]methanol?
The canonical SMILES for [(1R,2R)-1-(aminomethyl)-2-(2-chlorophenyl)cyclopropyl]methanol is NC[C@@]1(CO)C[C@H]1c1ccccc1Cl.
What is the InChIKey of [(1R,2R)-1-(aminomethyl)-2-(2-chlorophenyl)cyclopropyl]methanol?
The InChIKey is HBXDEOLXDVKMAL-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-10-4-2-1-3-8(10)9-5-11(9,6-13)7-14/h1-4,9,14H,5-7,13H2/t9-,11+/m0/s1.
What are the key properties of [(1R,2R)-1-(aminomethyl)-2-(2-chlorophenyl)cyclopropyl]methanol?
[(1R,2R)-1-(aminomethyl)-2-(2-chlorophenyl)cyclopropyl]methanol has a molecular weight of 211.69 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-(aminomethyl)-2-(2-chlorophenyl)cyclopropyl]methanol is sourced from PubChem (CID 95002734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).