1-[4-(3,4-dimethylcyclohexyl)oxy-2-fluorophenyl]-N-ethylethanamine

C18H28FNO — CID 107717054

IUPAC1-[4-(3,4-dimethylcyclohexyl)oxy-2-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OC2CCC(C)C(C)C2)cc1F
InChIInChI=1S/C18H28FNO/c1-5-20-14(4)17-9-8-16(11-18(17)19)21-15-7-6-12(2)13(3)10-15/h8-9,11-15,20H,5-7,10H2,1-4H3
InChIKeyOSZKKWUUDPZCNC-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.70
Rot. Bonds5

About 1-[4-(3,4-dimethylcyclohexyl)oxy-2-fluorophenyl]-N-ethylethanamine

1-[4-(3,4-dimethylcyclohexyl)oxy-2-fluorophenyl]-N-ethylethanamine (PubChem CID 107717054) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-[4-(3,4-dimethylcyclohexyl)oxy-2-fluorophenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-(3,4-dimethylcyclohexyl)oxy-2-fluorophenyl]-N-ethylethanamine
PubChem CID107717054
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name1-[4-(3,4-dimethylcyclohexyl)oxy-2-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OC2CCC(C)C(C)C2)cc1F
InChIInChI=1S/C18H28FNO/c1-5-20-14(4)17-9-8-16(11-18(17)19)21-15-7-6-12(2)13(3)10-15/h8-9,11-15,20H,5-7,10H2,1-4H3
InChIKeyOSZKKWUUDPZCNC-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 64745947
N-[1-(4-cyclohexyloxy-2-fluorophenyl)ethyl]propan-1-amine
CID 107717660
4-(3,4-dimethylcyclohexyl)oxy-2-fluoro-1-methylbenzene
CID 107171488
3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-1-methylpyrrolidin-2-one
CID 107717043
1-(4-butan-2-yloxy-2-fluorophenyl)-N-ethylethanamine
CID 107717175
3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]butan-2-ol
CID 107717129
1-[4-(2-butoxyethoxy)-2-fluorophenyl]-N-ethylethanamine
CID 107717524
N-[(2-fluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 43561496
1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]-N-ethylethanamine
CID 107717512
2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide
CID 107717208
N-ethyl-1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 107717110
1-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylbenzene
CID 64765498

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethylcyclohexyl)oxy-2-fluorophenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-(3,4-dimethylcyclohexyl)oxy-2-fluorophenyl]-N-ethylethanamine (CID 107717054) is 1-[4-(3,4-dimethylcyclohexyl)oxy-2-fluorophenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-(3,4-dimethylcyclohexyl)oxy-2-fluorophenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-(3,4-dimethylcyclohexyl)oxy-2-fluorophenyl]-N-ethylethanamine is CCNC(C)c1ccc(OC2CCC(C)C(C)C2)cc1F.
What is the InChIKey of 1-[4-(3,4-dimethylcyclohexyl)oxy-2-fluorophenyl]-N-ethylethanamine?
The InChIKey is OSZKKWUUDPZCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-5-20-14(4)17-9-8-16(11-18(17)19)21-15-7-6-12(2)13(3)10-15/h8-9,11-15,20H,5-7,10H2,1-4H3.
What are the key properties of 1-[4-(3,4-dimethylcyclohexyl)oxy-2-fluorophenyl]-N-ethylethanamine?
1-[4-(3,4-dimethylcyclohexyl)oxy-2-fluorophenyl]-N-ethylethanamine has a molecular weight of 293.43 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethylcyclohexyl)oxy-2-fluorophenyl]-N-ethylethanamine is sourced from PubChem (CID 107717054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).