1-cycloheptyl-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine

C16H24FNO — CID 62587575

IUPAC1-cycloheptyl-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)c(F)c1)C1CCCCCC1
InChIInChI=1S/C16H24FNO/c1-18-16(12-7-5-3-4-6-8-12)13-9-10-15(19-2)14(17)11-13/h9-12,16,18H,3-8H2,1-2H3
InChIKeyWHYRAHWZZINCFJ-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.07
Rot. Bonds4

About 1-cycloheptyl-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine

1-cycloheptyl-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 62587575) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-cycloheptyl-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-cycloheptyl-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID62587575
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-cycloheptyl-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)c(F)c1)C1CCCCCC1
InChIInChI=1S/C16H24FNO/c1-18-16(12-7-5-3-4-6-8-12)13-9-10-15(19-2)14(17)11-13/h9-12,16,18H,3-8H2,1-2H3
InChIKeyWHYRAHWZZINCFJ-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 54919033
1-(4-chloro-3-methoxyphenyl)-1-cyclooctyl-N-methylmethanamine
CID 80604128
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 104988080
1-cyclopropyl-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484588
1-cyclopentyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylmethanamine
CID 55125015
(1R,2S)-2-amino-1-cyclopentyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 171161937
N-[cyclohexyl-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 114981149
2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile
CID 65096727
2-(cycloheptylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile
CID 65096774
1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954300
N-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 105027607
2-(cycloheptylamino)-2-(3-fluoro-4-methoxyphenyl)acetic acid
CID 65096305

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-cycloheptyl-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine (CID 62587575) is 1-cycloheptyl-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-cycloheptyl-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-cycloheptyl-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine is CNC(c1ccc(OC)c(F)c1)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is WHYRAHWZZINCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-18-16(12-7-5-3-4-6-8-12)13-9-10-15(19-2)14(17)11-13/h9-12,16,18H,3-8H2,1-2H3.
What are the key properties of 1-cycloheptyl-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
1-cycloheptyl-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 265.37 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 62587575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).