1-[(5-chloro-2-fluorophenyl)methyl]-2-(diethylaminomethyl)cyclohexan-1-ol

C18H27ClFNO — CID 13233425

IUPAC1-[(5-chloro-2-fluorophenyl)methyl]-2-(diethylaminomethyl)cyclohexan-1-ol
SMILESCCN(CC)CC1CCCCC1(O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C18H27ClFNO/c1-3-21(4-2)13-15-7-5-6-10-18(15,22)12-14-11-16(19)8-9-17(14)20/h8-9,11,15,22H,3-7,10,12-13H2,1-2H3
InChIKeyRXKLZFMBMCZFKE-UHFFFAOYSA-N
MW327.87 g/mol
LogP4.28
Rot. Bonds6

About 1-[(5-chloro-2-fluorophenyl)methyl]-2-(diethylaminomethyl)cyclohexan-1-ol

1-[(5-chloro-2-fluorophenyl)methyl]-2-(diethylaminomethyl)cyclohexan-1-ol (PubChem CID 13233425) has the molecular formula C18H27ClFNO and a molecular weight of 327.87 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluorophenyl)methyl]-2-(diethylaminomethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(5-chloro-2-fluorophenyl)methyl]-2-(diethylaminomethyl)cyclohexan-1-ol
PubChem CID13233425
Molecular FormulaC18H27ClFNO
Molecular Weight327.87 g/mol
Exact Mass327.18
IUPAC Name1-[(5-chloro-2-fluorophenyl)methyl]-2-(diethylaminomethyl)cyclohexan-1-ol
SMILESCCN(CC)CC1CCCCC1(O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C18H27ClFNO/c1-3-21(4-2)13-15-7-5-6-10-18(15,22)12-14-11-16(19)8-9-17(14)20/h8-9,11,15,22H,3-7,10,12-13H2,1-2H3
InChIKeyRXKLZFMBMCZFKE-UHFFFAOYSA-N
XLogP4.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.87
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-2-(diethylaminomethyl)cyclohexan-1-ol?
The IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-2-(diethylaminomethyl)cyclohexan-1-ol (CID 13233425) is 1-[(5-chloro-2-fluorophenyl)methyl]-2-(diethylaminomethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[(5-chloro-2-fluorophenyl)methyl]-2-(diethylaminomethyl)cyclohexan-1-ol?
The canonical SMILES for 1-[(5-chloro-2-fluorophenyl)methyl]-2-(diethylaminomethyl)cyclohexan-1-ol is CCN(CC)CC1CCCCC1(O)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-[(5-chloro-2-fluorophenyl)methyl]-2-(diethylaminomethyl)cyclohexan-1-ol?
The InChIKey is RXKLZFMBMCZFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClFNO/c1-3-21(4-2)13-15-7-5-6-10-18(15,22)12-14-11-16(19)8-9-17(14)20/h8-9,11,15,22H,3-7,10,12-13H2,1-2H3.
What are the key properties of 1-[(5-chloro-2-fluorophenyl)methyl]-2-(diethylaminomethyl)cyclohexan-1-ol?
1-[(5-chloro-2-fluorophenyl)methyl]-2-(diethylaminomethyl)cyclohexan-1-ol has a molecular weight of 327.87 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-fluorophenyl)methyl]-2-(diethylaminomethyl)cyclohexan-1-ol is sourced from PubChem (CID 13233425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).