N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]cyclopropanamine

C18H26FNO — CID 63934652

IUPACN-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]cyclopropanamine
SMILESFc1ccccc1COC1(CNC2CC2)CCCCCC1
InChIInChI=1S/C18H26FNO/c19-17-8-4-3-7-15(17)13-21-18(14-20-16-9-10-16)11-5-1-2-6-12-18/h3-4,7-8,16,20H,1-2,5-6,9-14H2
InChIKeyOPFFTVBWBYQPKC-UHFFFAOYSA-N
MW291.41 g/mol
LogP4.19
Rot. Bonds6

About N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]cyclopropanamine

N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]cyclopropanamine (PubChem CID 63934652) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]cyclopropanamine
PubChem CID63934652
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC NameN-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]cyclopropanamine
SMILESFc1ccccc1COC1(CNC2CC2)CCCCCC1
InChIInChI=1S/C18H26FNO/c19-17-8-4-3-7-15(17)13-21-18(14-20-16-9-10-16)11-5-1-2-6-12-18/h3-4,7-8,16,20H,1-2,5-6,9-14H2
InChIKeyOPFFTVBWBYQPKC-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]ethanamine
CID 63932831
1-[1-[(2-fluorophenyl)methoxy]cyclopentyl]-N-methylmethanamine
CID 63934468
[1-[(2-fluorophenyl)methoxy]cyclohexyl]methanamine
CID 63932626
N-[[1-[(3-chlorophenyl)methoxy]cyclohexyl]methyl]cyclopropanamine
CID 65124979
1-[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]-N-methylmethanamine
CID 63934456
N-[[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-2-amine
CID 63934062
[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methanamine
CID 63932832
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917
N-[4-[(2-fluorophenyl)methoxy]butyl]cyclopropanamine
CID 63935145
N-[[1-(1-phenylethoxy)cyclohexyl]methyl]cyclopropanamine
CID 62107393
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487
N-[[1-(2-cyclopropylethoxy)cycloheptyl]methyl]cyclopropanamine
CID 106204875

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]cyclopropanamine (CID 63934652) is N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]cyclopropanamine is Fc1ccccc1COC1(CNC2CC2)CCCCCC1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]cyclopropanamine?
The InChIKey is OPFFTVBWBYQPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO/c19-17-8-4-3-7-15(17)13-21-18(14-20-16-9-10-16)11-5-1-2-6-12-18/h3-4,7-8,16,20H,1-2,5-6,9-14H2.
What are the key properties of N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]cyclopropanamine?
N-[[1-[(2-fluorophenyl)methoxy]cycloheptyl]methyl]cyclopropanamine has a molecular weight of 291.41 g/mol, XLogP of 4.19, 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]cycloheptyl]methyl]cyclopropanamine is sourced from PubChem (CID 63934652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).