[1-(4-ethoxy-3-fluorophenyl)cyclohexyl]methanamine

C15H22FNO — CID 82499353

IUPAC[1-(4-ethoxy-3-fluorophenyl)cyclohexyl]methanamine
SMILESCCOc1ccc(C2(CN)CCCCC2)cc1F
InChIInChI=1S/C15H22FNO/c1-2-18-14-7-6-12(10-13(14)16)15(11-17)8-4-3-5-9-15/h6-7,10H,2-5,8-9,11,17H2,1H3
InChIKeyJMODJMMCHYEGFQ-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.38
Rot. Bonds4

About [1-(4-ethoxy-3-fluorophenyl)cyclohexyl]methanamine

[1-(4-ethoxy-3-fluorophenyl)cyclohexyl]methanamine (PubChem CID 82499353) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is [1-(4-ethoxy-3-fluorophenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4-ethoxy-3-fluorophenyl)cyclohexyl]methanamine
PubChem CID82499353
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name[1-(4-ethoxy-3-fluorophenyl)cyclohexyl]methanamine
SMILESCCOc1ccc(C2(CN)CCCCC2)cc1F
InChIInChI=1S/C15H22FNO/c1-2-18-14-7-6-12(10-13(14)16)15(11-17)8-4-3-5-9-15/h6-7,10H,2-5,8-9,11,17H2,1H3
InChIKeyJMODJMMCHYEGFQ-UHFFFAOYSA-N
XLogP3.38
TPSA35.25 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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chloro-4-ethoxyphenyl)cyclopentyl]methanamine
CID 82499574
[1-(3-fluoro-4-phenylmethoxyphenyl)cyclohexyl]methanamine
CID 117498798
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
[1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine
CID 116989217
[1-(2-ethoxy-5-methylphenyl)cyclohexyl]methanamine
CID 117371857
[1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine
CID 117432913
[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351218
[1-(4-methoxy-3-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117418161
[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine
CID 82499570
[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclohexyl]methanamine
CID 117418082
4-[1-(aminomethyl)cyclobutyl]-2-fluoro-N,N-dimethylaniline
CID 117318635
[1-(3,4-dimethylphenyl)cyclohexyl]methanamine
CID 62899225

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxy-3-fluorophenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(4-ethoxy-3-fluorophenyl)cyclohexyl]methanamine (CID 82499353) is [1-(4-ethoxy-3-fluorophenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(4-ethoxy-3-fluorophenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(4-ethoxy-3-fluorophenyl)cyclohexyl]methanamine is CCOc1ccc(C2(CN)CCCCC2)cc1F.
What is the InChIKey of [1-(4-ethoxy-3-fluorophenyl)cyclohexyl]methanamine?
The InChIKey is JMODJMMCHYEGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-2-18-14-7-6-12(10-13(14)16)15(11-17)8-4-3-5-9-15/h6-7,10H,2-5,8-9,11,17H2,1H3.
What are the key properties of [1-(4-ethoxy-3-fluorophenyl)cyclohexyl]methanamine?
[1-(4-ethoxy-3-fluorophenyl)cyclohexyl]methanamine has a molecular weight of 251.34 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxy-3-fluorophenyl)cyclohexyl]methanamine is sourced from PubChem (CID 82499353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).