[1-[2-(cyclobutylmethoxy)-5-fluorophenyl]cyclohexyl]methanamine

C18H26FNO — CID 117470930

IUPAC[1-[2-(cyclobutylmethoxy)-5-fluorophenyl]cyclohexyl]methanamine
SMILESNCC1(c2cc(F)ccc2OCC2CCC2)CCCCC1
InChIInChI=1S/C18H26FNO/c19-15-7-8-17(21-12-14-5-4-6-14)16(11-15)18(13-20)9-2-1-3-10-18/h7-8,11,14H,1-6,9-10,12-13,20H2
InChIKeyHFONRWAZHMFQPT-UHFFFAOYSA-N
MW291.41 g/mol
LogP4.17
Rot. Bonds5

About [1-[2-(cyclobutylmethoxy)-5-fluorophenyl]cyclohexyl]methanamine

[1-[2-(cyclobutylmethoxy)-5-fluorophenyl]cyclohexyl]methanamine (PubChem CID 117470930) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is [1-[2-(cyclobutylmethoxy)-5-fluorophenyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[2-(cyclobutylmethoxy)-5-fluorophenyl]cyclohexyl]methanamine
PubChem CID117470930
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC Name[1-[2-(cyclobutylmethoxy)-5-fluorophenyl]cyclohexyl]methanamine
SMILESNCC1(c2cc(F)ccc2OCC2CCC2)CCCCC1
InChIInChI=1S/C18H26FNO/c19-15-7-8-17(21-12-14-5-4-6-14)16(11-15)18(13-20)9-2-1-3-10-18/h7-8,11,14H,1-6,9-10,12-13,20H2
InChIKeyHFONRWAZHMFQPT-UHFFFAOYSA-N
XLogP4.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropan-1-amine
CID 84787922
[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclobutyl]methanamine
CID 117436607
[1-[3-(cyclobutylmethoxy)-5-fluorophenyl]cyclopentyl]methanamine
CID 117444778
[1-[2-chloro-3-(cyclopropylmethoxy)phenyl]cyclopentyl]methanamine
CID 117448998
2-[1-(aminomethyl)cyclopentyl]-4-fluorophenol
CID 82612123
2-[1-(aminomethyl)cyclopentyl]-4-fluoroaniline
CID 117047242
2-[1-(aminomethyl)cyclopentyl]-4-fluorobenzaldehyde
CID 117316027
[1-(2-ethoxy-5-methylphenyl)cyclohexyl]methanamine
CID 117371857
1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclohexan-1-amine
CID 117436613
2-(chloromethyl)-1-(cyclohexylmethoxy)-4-fluorobenzene
CID 107698926
1-[4-(cyclobutylmethoxy)-3-fluorophenyl]cyclopentan-1-amine
CID 117413278
[1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]cyclobutyl]methanamine
CID 117408013

Frequently Asked Questions

What is the IUPAC name of [1-[2-(cyclobutylmethoxy)-5-fluorophenyl]cyclohexyl]methanamine?
The IUPAC name of [1-[2-(cyclobutylmethoxy)-5-fluorophenyl]cyclohexyl]methanamine (CID 117470930) is [1-[2-(cyclobutylmethoxy)-5-fluorophenyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[2-(cyclobutylmethoxy)-5-fluorophenyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[2-(cyclobutylmethoxy)-5-fluorophenyl]cyclohexyl]methanamine is NCC1(c2cc(F)ccc2OCC2CCC2)CCCCC1.
What is the InChIKey of [1-[2-(cyclobutylmethoxy)-5-fluorophenyl]cyclohexyl]methanamine?
The InChIKey is HFONRWAZHMFQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO/c19-15-7-8-17(21-12-14-5-4-6-14)16(11-15)18(13-20)9-2-1-3-10-18/h7-8,11,14H,1-6,9-10,12-13,20H2.
What are the key properties of [1-[2-(cyclobutylmethoxy)-5-fluorophenyl]cyclohexyl]methanamine?
[1-[2-(cyclobutylmethoxy)-5-fluorophenyl]cyclohexyl]methanamine has a molecular weight of 291.41 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(cyclobutylmethoxy)-5-fluorophenyl]cyclohexyl]methanamine is sourced from PubChem (CID 117470930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).