2-[[(2-fluorophenyl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol

C18H28FNO — CID 62610633

IUPAC2-[[(2-fluorophenyl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(C)Cc2ccccc2F)C1
InChIInChI=1S/C18H28FNO/c1-3-6-14-9-10-18(21)16(11-14)13-20(2)12-15-7-4-5-8-17(15)19/h4-5,7-8,14,16,18,21H,3,6,9-13H2,1-2H3
InChIKeyWLXKCYWFEPHGHJ-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.83
Rot. Bonds6

About 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol

2-[[(2-fluorophenyl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol (PubChem CID 62610633) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(2-fluorophenyl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol
PubChem CID62610633
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name2-[[(2-fluorophenyl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(C)Cc2ccccc2F)C1
InChIInChI=1S/C18H28FNO/c1-3-6-14-9-10-18(21)16(11-14)13-20(2)12-15-7-4-5-8-17(15)19/h4-5,7-8,14,16,18,21H,3,6,9-13H2,1-2H3
InChIKeyWLXKCYWFEPHGHJ-UHFFFAOYSA-N
XLogP3.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[furan-2-ylmethyl(methyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 62608837
2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-4-propylcyclohexan-1-ol
CID 63490128
2-[(4-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-ol
CID 63488559
2-[(N,2-dimethylanilino)methyl]-4-propylcyclohexan-1-ol
CID 63487718
2-[(3-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-ol
CID 63489444
4-ethyl-2-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclohexan-1-ol
CID 62609412
1-[2-[(2-fluorophenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine
CID 81029072
N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cyclopentan-1-amine
CID 62611217
N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine
CID 62608952
1-(4-ethylpiperidin-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylmethanamine
CID 114430837
2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-4-propylcyclohexane-1,2-diamine
CID 62978796
2-[[cyclopropylmethyl(propyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 62609053

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol?
The IUPAC name of 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol (CID 62610633) is 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(CN(C)Cc2ccccc2F)C1.
What is the InChIKey of 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol?
The InChIKey is WLXKCYWFEPHGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-3-6-14-9-10-18(21)16(11-14)13-20(2)12-15-7-4-5-8-17(15)19/h4-5,7-8,14,16,18,21H,3,6,9-13H2,1-2H3.
What are the key properties of 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol?
2-[[(2-fluorophenyl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol has a molecular weight of 293.43 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 62610633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).