1-[(2-fluoro-3-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine

C17H27FN2O — CID 82791986

IUPAC1-[(2-fluoro-3-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCNC(c1cccc(OC)c1F)C1(N(C)C)CCCCC1
InChIInChI=1S/C17H27FN2O/c1-19-16(13-9-8-10-14(21-4)15(13)18)17(20(2)3)11-6-5-7-12-17/h8-10,16,19H,5-7,11-12H2,1-4H3
InChIKeyOFHXZCOINYPDJX-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.36
Rot. Bonds5

About 1-[(2-fluoro-3-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine

1-[(2-fluoro-3-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 82791986) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 1-[(2-fluoro-3-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2-fluoro-3-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID82791986
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name1-[(2-fluoro-3-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCNC(c1cccc(OC)c1F)C1(N(C)C)CCCCC1
InChIInChI=1S/C17H27FN2O/c1-19-16(13-9-8-10-14(21-4)15(13)18)17(20(2)3)11-6-5-7-12-17/h8-10,16,19H,5-7,11-12H2,1-4H3
InChIKeyOFHXZCOINYPDJX-UHFFFAOYSA-N
XLogP3.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 82769632
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 82791632
N,N-dimethyl-1-[methylamino-(2-methylphenyl)methyl]cyclohexan-1-amine
CID 79066063
1-[(2,4-difluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066741
1-[(2,3-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066885
1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066502
1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79063504
[1-(dimethylamino)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol
CID 82769611
1-[1-amino-2-(2-fluoro-3-methoxyphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 104794103
1-[2-(2-fluoro-3-methoxyphenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine
CID 105242560
1-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066068
1-[(3-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 106649216

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-3-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(2-fluoro-3-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine (CID 82791986) is 1-[(2-fluoro-3-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(2-fluoro-3-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(2-fluoro-3-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine is CNC(c1cccc(OC)c1F)C1(N(C)C)CCCCC1.
What is the InChIKey of 1-[(2-fluoro-3-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is OFHXZCOINYPDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-19-16(13-9-8-10-14(21-4)15(13)18)17(20(2)3)11-6-5-7-12-17/h8-10,16,19H,5-7,11-12H2,1-4H3.
What are the key properties of 1-[(2-fluoro-3-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
1-[(2-fluoro-3-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 294.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-3-methoxyphenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 82791986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).