2-[(3-fluorophenyl)methoxy]cycloheptan-1-amine

C14H20FNO — CID 113395242

IUPAC2-[(3-fluorophenyl)methoxy]cycloheptan-1-amine
SMILESNC1CCCCCC1OCc1cccc(F)c1
InChIInChI=1S/C14H20FNO/c15-12-6-4-5-11(9-12)10-17-14-8-3-1-2-7-13(14)16/h4-6,9,13-14H,1-3,7-8,10,16H2
InChIKeyJKTRLIBNLNMKRL-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.00
Rot. Bonds3

About 2-[(3-fluorophenyl)methoxy]cycloheptan-1-amine

2-[(3-fluorophenyl)methoxy]cycloheptan-1-amine (PubChem CID 113395242) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methoxy]cycloheptan-1-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methoxy]cycloheptan-1-amine
PubChem CID113395242
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-[(3-fluorophenyl)methoxy]cycloheptan-1-amine
SMILESNC1CCCCCC1OCc1cccc(F)c1
InChIInChI=1S/C14H20FNO/c15-12-6-4-5-11(9-12)10-17-14-8-3-1-2-7-13(14)16/h4-6,9,13-14H,1-3,7-8,10,16H2
InChIKeyJKTRLIBNLNMKRL-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methoxyphenyl)methoxy]cycloheptan-1-amine
CID 62110928
2-[(3-methoxyphenyl)methoxy]cyclohexan-1-amine
CID 55036871
trans-(1S,2S)-2-[(3-chlorophenyl)methoxy]cyclopentan-1-amine
CID 126644466
trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide
CID 18681682
(3S,3aR,6S,6aR)-6-[(3-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine
CID 131632068
3-[[(1R,2R)-2-aminocyclobutyl]oxymethyl]aniline
CID 178083267
1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone
CID 116595083
2-[(3-fluorophenyl)methoxy]oxane
CID 22446153
cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine
CID 10512782
trans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride
CID 159130348
2-[[4-(2-phenylethenyl)phenyl]methoxy]cyclohexan-1-amine
CID 54376655
(3-fluorophenyl)methyl 2-cyclopentylacetate
CID 78760193

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methoxy]cycloheptan-1-amine?
The IUPAC name of 2-[(3-fluorophenyl)methoxy]cycloheptan-1-amine (CID 113395242) is 2-[(3-fluorophenyl)methoxy]cycloheptan-1-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methoxy]cycloheptan-1-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methoxy]cycloheptan-1-amine is NC1CCCCCC1OCc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methoxy]cycloheptan-1-amine?
The InChIKey is JKTRLIBNLNMKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c15-12-6-4-5-11(9-12)10-17-14-8-3-1-2-7-13(14)16/h4-6,9,13-14H,1-3,7-8,10,16H2.
What are the key properties of 2-[(3-fluorophenyl)methoxy]cycloheptan-1-amine?
2-[(3-fluorophenyl)methoxy]cycloheptan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methoxy]cycloheptan-1-amine is sourced from PubChem (CID 113395242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).