1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine

C18H28FNO — CID 82793249

IUPAC1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
SMILESCCCC1CCC(C(NC)c2cccc(OC)c2F)CC1
InChIInChI=1S/C18H28FNO/c1-4-6-13-9-11-14(12-10-13)18(20-2)15-7-5-8-16(21-3)17(15)19/h5,7-8,13-14,18,20H,4,6,9-12H2,1-3H3
InChIKeyVQQLZHAUFKDUPB-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.70
Rot. Bonds6

About 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine

1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine (PubChem CID 82793249) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
PubChem CID82793249
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
SMILESCCCC1CCC(C(NC)c2cccc(OC)c2F)CC1
InChIInChI=1S/C18H28FNO/c1-4-6-13-9-11-14(12-10-13)18(20-2)15-7-5-8-16(21-3)17(15)19/h5,7-8,13-14,18,20H,4,6,9-12H2,1-3H3
InChIKeyVQQLZHAUFKDUPB-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 82807411
N-[(3-ethylcyclopentyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 82791518
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 65422994
N-methyl-1-(4-propylcyclohexyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 65424736
1-cyclobutyl-1-(2-methoxyphenyl)-N-methylmethanamine
CID 64986514
2,3-difluoro-1-methoxy-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
CID 126626464
1-(4-butylcyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 115859834
2-cyclobutyl-N-ethyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 103169321
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757780
1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 104515711
[2-cycloheptyl-1-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105329278
1-(4-chlorophenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 65425698

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine (CID 82793249) is 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine is CCCC1CCC(C(NC)c2cccc(OC)c2F)CC1.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine?
The InChIKey is VQQLZHAUFKDUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-4-6-13-9-11-14(12-10-13)18(20-2)15-7-5-8-16(21-3)17(15)19/h5,7-8,13-14,18,20H,4,6,9-12H2,1-3H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine?
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine has a molecular weight of 293.43 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine is sourced from PubChem (CID 82793249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).