2-[(4-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-ol

C17H26FNO — CID 63488559

IUPAC2-[(4-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(C)c2ccc(F)cc2)C1
InChIInChI=1S/C17H26FNO/c1-3-4-13-5-10-17(20)14(11-13)12-19(2)16-8-6-15(18)7-9-16/h6-9,13-14,17,20H,3-5,10-12H2,1-2H3
InChIKeyKVXOJNMXGDKPHK-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.84
Rot. Bonds5

About 2-[(4-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-ol

2-[(4-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-ol (PubChem CID 63488559) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-[(4-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(4-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-ol
PubChem CID63488559
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name2-[(4-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(C)c2ccc(F)cc2)C1
InChIInChI=1S/C17H26FNO/c1-3-4-13-5-10-17(20)14(11-13)12-19(2)16-8-6-15(18)7-9-16/h6-9,13-14,17,20H,3-5,10-12H2,1-2H3
InChIKeyKVXOJNMXGDKPHK-UHFFFAOYSA-N
XLogP3.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-ol?
The IUPAC name of 2-[(4-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-ol (CID 63488559) is 2-[(4-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-[(4-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-[(4-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(CN(C)c2ccc(F)cc2)C1.
What is the InChIKey of 2-[(4-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-ol?
The InChIKey is KVXOJNMXGDKPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-4-13-5-10-17(20)14(11-13)12-19(2)16-8-6-15(18)7-9-16/h6-9,13-14,17,20H,3-5,10-12H2,1-2H3.
What are the key properties of 2-[(4-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-ol?
2-[(4-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-ol has a molecular weight of 279.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 63488559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).