2-[4-(aminomethyl)-2,6-difluoro-N-methylanilino]cyclohexan-1-ol

C14H20F2N2O — CID 102631487

IUPAC2-[4-(aminomethyl)-2,6-difluoro-N-methylanilino]cyclohexan-1-ol
SMILESCN(c1c(F)cc(CN)cc1F)C1CCCCC1O
InChIInChI=1S/C14H20F2N2O/c1-18(12-4-2-3-5-13(12)19)14-10(15)6-9(8-17)7-11(14)16/h6-7,12-13,19H,2-5,8,17H2,1H3
InChIKeyYKIPUPMYYDPVLG-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.16
Rot. Bonds3

About 2-[4-(aminomethyl)-2,6-difluoro-N-methylanilino]cyclohexan-1-ol

2-[4-(aminomethyl)-2,6-difluoro-N-methylanilino]cyclohexan-1-ol (PubChem CID 102631487) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2,6-difluoro-N-methylanilino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2,6-difluoro-N-methylanilino]cyclohexan-1-ol
PubChem CID102631487
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name2-[4-(aminomethyl)-2,6-difluoro-N-methylanilino]cyclohexan-1-ol
SMILESCN(c1c(F)cc(CN)cc1F)C1CCCCC1O
InChIInChI=1S/C14H20F2N2O/c1-18(12-4-2-3-5-13(12)19)14-10(15)6-9(8-17)7-11(14)16/h6-7,12-13,19H,2-5,8,17H2,1H3
InChIKeyYKIPUPMYYDPVLG-UHFFFAOYSA-N
XLogP2.16
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2,6-difluoro-N-methylanilino]cyclohexan-1-ol?
The IUPAC name of 2-[4-(aminomethyl)-2,6-difluoro-N-methylanilino]cyclohexan-1-ol (CID 102631487) is 2-[4-(aminomethyl)-2,6-difluoro-N-methylanilino]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-(aminomethyl)-2,6-difluoro-N-methylanilino]cyclohexan-1-ol?
The canonical SMILES for 2-[4-(aminomethyl)-2,6-difluoro-N-methylanilino]cyclohexan-1-ol is CN(c1c(F)cc(CN)cc1F)C1CCCCC1O.
What is the InChIKey of 2-[4-(aminomethyl)-2,6-difluoro-N-methylanilino]cyclohexan-1-ol?
The InChIKey is YKIPUPMYYDPVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-18(12-4-2-3-5-13(12)19)14-10(15)6-9(8-17)7-11(14)16/h6-7,12-13,19H,2-5,8,17H2,1H3.
What are the key properties of 2-[4-(aminomethyl)-2,6-difluoro-N-methylanilino]cyclohexan-1-ol?
2-[4-(aminomethyl)-2,6-difluoro-N-methylanilino]cyclohexan-1-ol has a molecular weight of 270.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2,6-difluoro-N-methylanilino]cyclohexan-1-ol is sourced from PubChem (CID 102631487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).