2-(3-aminopentan-3-yl)-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-ol

C18H27ClFNO — CID 19862243

IUPAC2-(3-aminopentan-3-yl)-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-ol
SMILESCCC(N)(CC)C1CCCCC1(O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C18H27ClFNO/c1-3-17(21,4-2)16-7-5-6-10-18(16,22)12-13-11-14(19)8-9-15(13)20/h8-9,11,16,22H,3-7,10,12,21H2,1-2H3
InChIKeyPXUFYFOYOVZZEM-UHFFFAOYSA-N
MW327.87 g/mol
LogP4.46
Rot. Bonds5

About 2-(3-aminopentan-3-yl)-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-ol

2-(3-aminopentan-3-yl)-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-ol (PubChem CID 19862243) has the molecular formula C18H27ClFNO and a molecular weight of 327.87 g/mol. Its IUPAC name is 2-(3-aminopentan-3-yl)-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-(3-aminopentan-3-yl)-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-ol
PubChem CID19862243
Molecular FormulaC18H27ClFNO
Molecular Weight327.87 g/mol
Exact Mass327.18
IUPAC Name2-(3-aminopentan-3-yl)-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-ol
SMILESCCC(N)(CC)C1CCCCC1(O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C18H27ClFNO/c1-3-17(21,4-2)16-7-5-6-10-18(16,22)12-13-11-14(19)8-9-15(13)20/h8-9,11,16,22H,3-7,10,12,21H2,1-2H3
InChIKeyPXUFYFOYOVZZEM-UHFFFAOYSA-N
XLogP4.46
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.87
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopentan-3-yl)-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 2-(3-aminopentan-3-yl)-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-ol (CID 19862243) is 2-(3-aminopentan-3-yl)-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-(3-aminopentan-3-yl)-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-(3-aminopentan-3-yl)-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-ol is CCC(N)(CC)C1CCCCC1(O)Cc1cc(Cl)ccc1F.
What is the InChIKey of 2-(3-aminopentan-3-yl)-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-ol?
The InChIKey is PXUFYFOYOVZZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClFNO/c1-3-17(21,4-2)16-7-5-6-10-18(16,22)12-13-11-14(19)8-9-15(13)20/h8-9,11,16,22H,3-7,10,12,21H2,1-2H3.
What are the key properties of 2-(3-aminopentan-3-yl)-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-ol?
2-(3-aminopentan-3-yl)-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-ol has a molecular weight of 327.87 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopentan-3-yl)-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 19862243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).