N-[1-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine

C15H22FNO — CID 43766679

IUPACN-[1-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NC(C)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-11(12-7-9-13(16)10-8-12)17-14-5-3-4-6-15(14)18-2/h7-11,14-15,17H,3-6H2,1-2H3
InChIKeyXITBXSCQIAFLDQ-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.43
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine

N-[1-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine (PubChem CID 43766679) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
PubChem CID43766679
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NC(C)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-11(12-7-9-13(16)10-8-12)17-14-5-3-4-6-15(14)18-2/h7-11,14-15,17H,3-6H2,1-2H3
InChIKeyXITBXSCQIAFLDQ-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 81359045
N-[1-(3,4-difluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43780431
2-methoxy-N-[1-(4-methoxyphenyl)ethyl]cyclopentan-1-amine
CID 62086759
N-[1-(4-ethoxyphenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43788970
N-[1-(3-fluorophenyl)ethyl]-2-methoxycyclopentan-1-amine
CID 55033361
2-methoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopentan-1-amine
CID 62087299
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 81346875
2-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81396821
2-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile
CID 62742248
2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81347113
N-[1-(4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694434
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 81378180

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine (CID 43766679) is N-[1-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine is COC1CCCCC1NC(C)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine?
The InChIKey is XITBXSCQIAFLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11(12-7-9-13(16)10-8-12)17-14-5-3-4-6-15(14)18-2/h7-11,14-15,17H,3-6H2,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine?
N-[1-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine is sourced from PubChem (CID 43766679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).