2-(aminomethyl)-2-[(2,4-difluorophenyl)methyl]cyclohexan-1-ol

C14H19F2NO — CID 65393607

IUPAC2-(aminomethyl)-2-[(2,4-difluorophenyl)methyl]cyclohexan-1-ol
SMILESNCC1(Cc2ccc(F)cc2F)CCCCC1O
InChIInChI=1S/C14H19F2NO/c15-11-5-4-10(12(16)7-11)8-14(9-17)6-2-1-3-13(14)18/h4-5,7,13,18H,1-3,6,8-9,17H2
InChIKeyBDNZDXXYGIJVAD-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.39
Rot. Bonds3

About 2-(aminomethyl)-2-[(2,4-difluorophenyl)methyl]cyclohexan-1-ol

2-(aminomethyl)-2-[(2,4-difluorophenyl)methyl]cyclohexan-1-ol (PubChem CID 65393607) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(2,4-difluorophenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(2,4-difluorophenyl)methyl]cyclohexan-1-ol
PubChem CID65393607
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name2-(aminomethyl)-2-[(2,4-difluorophenyl)methyl]cyclohexan-1-ol
SMILESNCC1(Cc2ccc(F)cc2F)CCCCC1O
InChIInChI=1S/C14H19F2NO/c15-11-5-4-10(12(16)7-11)8-14(9-17)6-2-1-3-13(14)18/h4-5,7,13,18H,1-3,6,8-9,17H2
InChIKeyBDNZDXXYGIJVAD-UHFFFAOYSA-N
XLogP2.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(2,4-difluorophenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[(2,4-difluorophenyl)methyl]cyclohexan-1-ol (CID 65393607) is 2-(aminomethyl)-2-[(2,4-difluorophenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[(2,4-difluorophenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[(2,4-difluorophenyl)methyl]cyclohexan-1-ol is NCC1(Cc2ccc(F)cc2F)CCCCC1O.
What is the InChIKey of 2-(aminomethyl)-2-[(2,4-difluorophenyl)methyl]cyclohexan-1-ol?
The InChIKey is BDNZDXXYGIJVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c15-11-5-4-10(12(16)7-11)8-14(9-17)6-2-1-3-13(14)18/h4-5,7,13,18H,1-3,6,8-9,17H2.
What are the key properties of 2-(aminomethyl)-2-[(2,4-difluorophenyl)methyl]cyclohexan-1-ol?
2-(aminomethyl)-2-[(2,4-difluorophenyl)methyl]cyclohexan-1-ol has a molecular weight of 255.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(2,4-difluorophenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65393607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).