[2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine

C14H18FNO — CID 46937337

IUPAC[2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine
SMILESNCC1CC1c1cc(F)ccc1OCC1CC1
InChIInChI=1S/C14H18FNO/c15-11-3-4-14(17-8-9-1-2-9)13(6-11)12-5-10(12)7-16/h3-4,6,9-10,12H,1-2,5,7-8,16H2
InChIKeyPEJDRJDQIFVYTC-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.68
Rot. Bonds5

About [2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine

[2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine (PubChem CID 46937337) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is [2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine
PubChem CID46937337
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name[2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine
SMILESNCC1CC1c1cc(F)ccc1OCC1CC1
InChIInChI=1S/C14H18FNO/c15-11-3-4-14(17-8-9-1-2-9)13(6-11)12-5-10(12)7-16/h3-4,6,9-10,12H,1-2,5,7-8,16H2
InChIKeyPEJDRJDQIFVYTC-UHFFFAOYSA-N
XLogP2.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine;hydrochloride
CID 86287636
[2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methyl-methylidyneazanium
CID 123679899
[(1R,2R)-2-(5-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine
CID 118733820
[5-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117446543
[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]methanamine
CID 94556815
(E)-3-[2-(cyclopropylmethoxy)-5-fluorophenyl]prop-2-en-1-amine
CID 117315957
[2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine
CID 122442261
[(1R,2R)-2-(5-chloro-2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 118733759
[2-(5-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 82782278
[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine
CID 70683433
[(1S,2S)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine;hydrochloride
CID 44572165
1-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropan-1-amine
CID 84787922

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine?
The IUPAC name of [2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine (CID 46937337) is [2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine.
What is the SMILES notation for [2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine?
The canonical SMILES for [2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine is NCC1CC1c1cc(F)ccc1OCC1CC1.
What is the InChIKey of [2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine?
The InChIKey is PEJDRJDQIFVYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c15-11-3-4-14(17-8-9-1-2-9)13(6-11)12-5-10(12)7-16/h3-4,6,9-10,12H,1-2,5,7-8,16H2.
What are the key properties of [2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine?
[2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine has a molecular weight of 235.30 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine is sourced from PubChem (CID 46937337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).