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N-[1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethyl]propan-1-amine

C18H28FNO — CID 43285022

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1c(F)cccc1OC1CCCCC1C
InChIInChI=1S/C18H28FNO/c1-4-12-20-14(3)18-15(19)9-7-11-17(18)21-16-10-6-5-8-13(16)2/h7,9,11,13-14,16,20H,4-6,8,10,12H2,1-3H3
InChIKeyGTFMSCZAEHUGQN-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.84
Rot. Bonds6

About N-[1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethyl]propan-1-amine

N-[1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethyl]propan-1-amine (PubChem CID 43285022) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethyl]propan-1-amine
PubChem CID43285022
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC NameN-[1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1c(F)cccc1OC1CCCCC1C
InChIInChI=1S/C18H28FNO/c1-4-12-20-14(3)18-15(19)9-7-11-17(18)21-16-10-6-5-8-13(16)2/h7,9,11,13-14,16,20H,4-6,8,10,12H2,1-3H3
InChIKeyGTFMSCZAEHUGQN-UHFFFAOYSA-N
XLogP4.84
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 ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethyl]propan-1-amine (CID 43285022) is N-[1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethyl]propan-1-amine is CCCNC(C)c1c(F)cccc1OC1CCCCC1C.
What is the InChIKey of N-[1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethyl]propan-1-amine?
The InChIKey is GTFMSCZAEHUGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-4-12-20-14(3)18-15(19)9-7-11-17(18)21-16-10-6-5-8-13(16)2/h7,9,11,13-14,16,20H,4-6,8,10,12H2,1-3H3.
What are the key properties of N-[1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethyl]propan-1-amine?
N-[1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethyl]propan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethyl]propan-1-amine is sourced from PubChem (CID 43285022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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