2-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol

C15H22FNO — CID 3056582

IUPAC2-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol
SMILESCN(C)CC1CCCCC1(O)c1cccc(F)c1
InChIInChI=1S/C15H22FNO/c1-17(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(16)10-12/h5,7-8,10,13,18H,3-4,6,9,11H2,1-2H3
InChIKeyRZJFWHCRPZTIQJ-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.77
Rot. Bonds3

About 2-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol

2-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol (PubChem CID 3056582) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol
PubChem CID3056582
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol
SMILESCN(C)CC1CCCCC1(O)c1cccc(F)c1
InChIInChI=1S/C15H22FNO/c1-17(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(16)10-12/h5,7-8,10,13,18H,3-4,6,9,11H2,1-2H3
InChIKeyRZJFWHCRPZTIQJ-UHFFFAOYSA-N
XLogP2.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol (CID 3056582) is 2-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol is CN(C)CC1CCCCC1(O)c1cccc(F)c1.
What is the InChIKey of 2-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol?
The InChIKey is RZJFWHCRPZTIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-17(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(16)10-12/h5,7-8,10,13,18H,3-4,6,9,11H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol?
2-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol has a molecular weight of 251.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol is sourced from PubChem (CID 3056582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).