1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine

C18H28FNO — CID 103395598

IUPAC1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
SMILESCNC(c1ccc(OC)cc1F)C1CCC(C(C)C)CC1
InChIInChI=1S/C18H28FNO/c1-12(2)13-5-7-14(8-6-13)18(20-3)16-10-9-15(21-4)11-17(16)19/h9-14,18,20H,5-8H2,1-4H3
InChIKeyHQFAGRXLEKCYHR-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.56
Rot. Bonds5

About 1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine

1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine (PubChem CID 103395598) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
PubChem CID103395598
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
SMILESCNC(c1ccc(OC)cc1F)C1CCC(C(C)C)CC1
InChIInChI=1S/C18H28FNO/c1-12(2)13-5-7-14(8-6-13)18(20-3)16-10-9-15(21-4)11-17(16)19/h9-14,18,20H,5-8H2,1-4H3
InChIKeyHQFAGRXLEKCYHR-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine
CID 83154390
[2-cyclopropyl-1-(2-fluoro-4-methoxyphenyl)propyl]hydrazine
CID 103397832
1-(2-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424379
N-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 63503561
N-[cyclopentyl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 43561568
1-cycloheptyl-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 55091680
1-(1,4-dioxan-2-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 55119570
(1R,2S)-2-amino-1-cyclopropyl-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 171161417
4-[(2,4-difluorophenyl)-(methylamino)methyl]cyclohexan-1-ol
CID 116957014
1-(3-ethyl-1,4-dithian-2-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 103395776
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]cyclopentanamine
CID 43756493
(1R)-1-cycloheptyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]ethanamine
CID 81391387

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine (CID 103395598) is 1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine is CNC(c1ccc(OC)cc1F)C1CCC(C(C)C)CC1.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine?
The InChIKey is HQFAGRXLEKCYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-12(2)13-5-7-14(8-6-13)18(20-3)16-10-9-15(21-4)11-17(16)19/h9-14,18,20H,5-8H2,1-4H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine?
1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine has a molecular weight of 293.43 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine is sourced from PubChem (CID 103395598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).