N-[[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-2-amine

C18H28FNO — CID 63934062

IUPACN-[[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-2-amine
SMILESCC1CCCC(CNC(C)C)(OCc2ccccc2F)C1
InChIInChI=1S/C18H28FNO/c1-14(2)20-13-18(10-6-7-15(3)11-18)21-12-16-8-4-5-9-17(16)19/h4-5,8-9,14-15,20H,6-7,10-13H2,1-3H3
InChIKeyCFOSFVOXAZNHER-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.29
Rot. Bonds6

About N-[[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-2-amine

N-[[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-2-amine (PubChem CID 63934062) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-2-amine
PubChem CID63934062
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC NameN-[[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-2-amine
SMILESCC1CCCC(CNC(C)C)(OCc2ccccc2F)C1
InChIInChI=1S/C18H28FNO/c1-14(2)20-13-18(10-6-7-15(3)11-18)21-12-16-8-4-5-9-17(16)19/h4-5,8-9,14-15,20H,6-7,10-13H2,1-3H3
InChIKeyCFOSFVOXAZNHER-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]-N-methylmethanamine
CID 63934456
[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methanamine
CID 63932832
N-[(1-ethoxy-3-methylcyclohexyl)methyl]propan-2-amine
CID 62109080
1-[1-[(2-fluorophenyl)methoxy]cyclopentyl]-N-methylmethanamine
CID 63934468
N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]cyclopropanamine
CID 63934652
N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]ethanamine
CID 63932831
N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]propan-2-amine
CID 62110767
N-[(1-cyclobutyloxy-3-methylcyclohexyl)methyl]propan-2-amine
CID 62383858
[1-[(2-chlorophenyl)methoxy]-3-methylcyclohexyl]methanamine
CID 62109260
N-[[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-2-amine
CID 115942700
N-[(3-methyl-1-phenylmethoxycyclohexyl)methyl]propan-1-amine
CID 63473709
[1-[(2-fluorophenyl)methoxy]cyclohexyl]methanamine
CID 63932626

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-2-amine (CID 63934062) is N-[[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-2-amine is CC1CCCC(CNC(C)C)(OCc2ccccc2F)C1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-2-amine?
The InChIKey is CFOSFVOXAZNHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-14(2)20-13-18(10-6-7-15(3)11-18)21-12-16-8-4-5-9-17(16)19/h4-5,8-9,14-15,20H,6-7,10-13H2,1-3H3.
What are the key properties of N-[[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-2-amine?
N-[[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-2-amine has a molecular weight of 293.43 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 63934062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).