1-[3-chloro-4-(dimethylamino)phenyl]cyclopropan-1-ol

C11H14ClNO — CID 117302411

IUPAC1-[3-chloro-4-(dimethylamino)phenyl]cyclopropan-1-ol
SMILESCN(C)c1ccc(C2(O)CC2)cc1Cl
InChIInChI=1S/C11H14ClNO/c1-13(2)10-4-3-8(7-9(10)12)11(14)5-6-11/h3-4,7,14H,5-6H2,1-2H3
InChIKeyLEORNRWQWXPLJM-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.39
Rot. Bonds2

About 1-[3-chloro-4-(dimethylamino)phenyl]cyclopropan-1-ol

1-[3-chloro-4-(dimethylamino)phenyl]cyclopropan-1-ol (PubChem CID 117302411) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 1-[3-chloro-4-(dimethylamino)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[3-chloro-4-(dimethylamino)phenyl]cyclopropan-1-ol
PubChem CID117302411
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name1-[3-chloro-4-(dimethylamino)phenyl]cyclopropan-1-ol
SMILESCN(C)c1ccc(C2(O)CC2)cc1Cl
InChIInChI=1S/C11H14ClNO/c1-13(2)10-4-3-8(7-9(10)12)11(14)5-6-11/h3-4,7,14H,5-6H2,1-2H3
InChIKeyLEORNRWQWXPLJM-UHFFFAOYSA-N
XLogP2.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(dimethylamino)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[3-chloro-4-(dimethylamino)phenyl]cyclopropan-1-ol (CID 117302411) is 1-[3-chloro-4-(dimethylamino)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[3-chloro-4-(dimethylamino)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[3-chloro-4-(dimethylamino)phenyl]cyclopropan-1-ol is CN(C)c1ccc(C2(O)CC2)cc1Cl.
What is the InChIKey of 1-[3-chloro-4-(dimethylamino)phenyl]cyclopropan-1-ol?
The InChIKey is LEORNRWQWXPLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-13(2)10-4-3-8(7-9(10)12)11(14)5-6-11/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(dimethylamino)phenyl]cyclopropan-1-ol?
1-[3-chloro-4-(dimethylamino)phenyl]cyclopropan-1-ol has a molecular weight of 211.69 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(dimethylamino)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 117302411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).