N-[[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]methyl]propan-2-amine

C18H28FNO — CID 82791684

IUPACN-[[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]methyl]propan-2-amine
SMILESCOc1cccc(C2CCCCCC2CNC(C)C)c1F
InChIInChI=1S/C18H28FNO/c1-13(2)20-12-14-8-5-4-6-9-15(14)16-10-7-11-17(21-3)18(16)19/h7,10-11,13-15,20H,4-6,8-9,12H2,1-3H3
InChIKeyHQIQXYBKCMNGIX-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.50
Rot. Bonds5

About N-[[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]methyl]propan-2-amine

N-[[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]methyl]propan-2-amine (PubChem CID 82791684) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]methyl]propan-2-amine
PubChem CID82791684
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC NameN-[[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]methyl]propan-2-amine
SMILESCOc1cccc(C2CCCCCC2CNC(C)C)c1F
InChIInChI=1S/C18H28FNO/c1-13(2)20-12-14-8-5-4-6-9-15(14)16-10-7-11-17(21-3)18(16)19/h7,10-11,13-15,20H,4-6,8-9,12H2,1-3H3
InChIKeyHQIQXYBKCMNGIX-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]-N-methylmethanamine
CID 82811219
N-[[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]methyl]propan-1-amine
CID 82791683
[2-(2-fluoro-3-methoxyphenyl)cyclohexyl]methanamine
CID 82812472
N-[[2-(2,3-difluoro-4-methylphenyl)cyclohexyl]methyl]propan-2-amine
CID 107514752
N-[[2-(2,5-difluorophenyl)cycloheptyl]methyl]propan-2-amine
CID 81025099
N-[[2-(4-bromo-3-chloro-2-fluorophenyl)cyclohexyl]methyl]propan-2-amine
CID 106763841
2-(2-fluoro-3-methoxyphenyl)-N-methylcyclopentan-1-amine
CID 82811854
N-[[2-[(2-methoxyphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81034896
2-(2-fluoro-3-methoxyphenyl)cyclopentan-1-ol
CID 82812195
N-[[2-(3-bromo-2,6-difluorophenyl)cycloheptyl]methyl]propan-2-amine
CID 106943915
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 104792411
N-methyl-1-[2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine
CID 81027950

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]methyl]propan-2-amine (CID 82791684) is N-[[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]methyl]propan-2-amine is COc1cccc(C2CCCCCC2CNC(C)C)c1F.
What is the InChIKey of N-[[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]methyl]propan-2-amine?
The InChIKey is HQIQXYBKCMNGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-13(2)20-12-14-8-5-4-6-9-15(14)16-10-7-11-17(21-3)18(16)19/h7,10-11,13-15,20H,4-6,8-9,12H2,1-3H3.
What are the key properties of N-[[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]methyl]propan-2-amine?
N-[[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]methyl]propan-2-amine has a molecular weight of 293.43 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]methyl]propan-2-amine is sourced from PubChem (CID 82791684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).