2-(aminomethyl)-2-[(2,5-difluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol

C16H23F2NO — CID 79855011

IUPAC2-(aminomethyl)-2-[(2,5-difluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(CN)(Cc2cc(F)ccc2F)C1O
InChIInChI=1S/C16H23F2NO/c1-15(2)6-3-7-16(10-19,14(15)20)9-11-8-12(17)4-5-13(11)18/h4-5,8,14,20H,3,6-7,9-10,19H2,1-2H3
InChIKeyYQIPJXNJIVCTPZ-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.02
Rot. Bonds3

About 2-(aminomethyl)-2-[(2,5-difluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol

2-(aminomethyl)-2-[(2,5-difluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol (PubChem CID 79855011) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(2,5-difluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(2,5-difluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol
PubChem CID79855011
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name2-(aminomethyl)-2-[(2,5-difluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(CN)(Cc2cc(F)ccc2F)C1O
InChIInChI=1S/C16H23F2NO/c1-15(2)6-3-7-16(10-19,14(15)20)9-11-8-12(17)4-5-13(11)18/h4-5,8,14,20H,3,6-7,9-10,19H2,1-2H3
InChIKeyYQIPJXNJIVCTPZ-UHFFFAOYSA-N
XLogP3.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-[(2-chloro-4-fluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol
CID 79855542
2-(aminomethyl)-2-[(4-fluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol
CID 79855538
2-(aminomethyl)-2-[(2-bromophenyl)methyl]-6,6-dimethylcyclohexan-1-ol
CID 79855155
[1-[(2,5-difluorophenyl)methyl]cyclobutyl]methanamine
CID 65194577
2-(aminomethyl)-2-[(2,3-difluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol
CID 79865443
2-(aminomethyl)-2-[(2,4-difluorophenyl)methyl]cyclohexan-1-ol
CID 65393607
[1-[(2,5-difluorophenyl)methyl]cycloheptyl]methanamine
CID 65390913
2-(aminomethyl)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol
CID 79855610
2-(aminomethyl)-2-[(2-chloro-4-fluorophenyl)methyl]cyclopentan-1-ol
CID 65395688
1-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxylic acid
CID 65195023
N-[[1-[(2,5-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 62725796
2-(aminomethyl)-6,6-dimethyl-2-(3-phenylpropyl)cyclohexan-1-ol
CID 79855992

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(2,5-difluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[(2,5-difluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol (CID 79855011) is 2-(aminomethyl)-2-[(2,5-difluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[(2,5-difluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[(2,5-difluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol is CC1(C)CCCC(CN)(Cc2cc(F)ccc2F)C1O.
What is the InChIKey of 2-(aminomethyl)-2-[(2,5-difluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol?
The InChIKey is YQIPJXNJIVCTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-15(2)6-3-7-16(10-19,14(15)20)9-11-8-12(17)4-5-13(11)18/h4-5,8,14,20H,3,6-7,9-10,19H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-[(2,5-difluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol?
2-(aminomethyl)-2-[(2,5-difluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol has a molecular weight of 283.36 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(2,5-difluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79855011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).