[2-(5-chloro-4-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride

C13H16Cl2FNO — CID 127028094

IUPAC[2-(5-chloro-4-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride
SMILESC=CCOc1cc(F)c(Cl)cc1C1CC1CN.Cl
InChIInChI=1S/C13H15ClFNO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
InChIKeyBFKVRYNWYCDLDI-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.53
Rot. Bonds5

About [2-(5-chloro-4-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride

[2-(5-chloro-4-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride (PubChem CID 127028094) has the molecular formula C13H16Cl2FNO and a molecular weight of 292.18 g/mol. Its IUPAC name is [2-(5-chloro-4-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-(5-chloro-4-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride
PubChem CID127028094
Molecular FormulaC13H16Cl2FNO
Molecular Weight292.18 g/mol
Exact Mass291.06
IUPAC Name[2-(5-chloro-4-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride
SMILESC=CCOc1cc(F)c(Cl)cc1C1CC1CN.Cl
InChIInChI=1S/C13H15ClFNO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H
InChIKeyBFKVRYNWYCDLDI-UHFFFAOYSA-N
XLogP3.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-(2,3-Dichloro-6-methoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 127028423
2-[4-[(3-Chlorophenyl)methoxy]phenyl]ethanamine;hydrochloride
CID 22421276
[(1S,2S)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine
CID 46937339
[2-(2-Chloro-3-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 127026867
2-[5-Chloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine
CID 56659548
4-(5-Chloro-2-(4-fluorobenzyloxy)phenyl)piperidine
CID 45483429
[(1S,2S)-2-[2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride
CID 70681341
[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 70683432
[(1R,2R)-2-[2-(cyclopropylmethoxy)phenyl]cyclopropyl]methanamine;hydrochloride
CID 70685539
[(1S,2S)-2-(2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 70687694
[(1S,2S)-2-[2-(cyclopropylmethoxy)phenyl]cyclopropyl]methanamine;hydrochloride
CID 70693925
[(1S,2S)-2-(5-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 92042918

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-4-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [2-(5-chloro-4-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride (CID 127028094) is [2-(5-chloro-4-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [2-(5-chloro-4-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [2-(5-chloro-4-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride is C=CCOc1cc(F)c(Cl)cc1C1CC1CN.Cl.
What is the InChIKey of [2-(5-chloro-4-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride?
The InChIKey is BFKVRYNWYCDLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO.ClH/c1-2-3-17-13-6-12(15)11(14)5-10(13)9-4-8(9)7-16;/h2,5-6,8-9H,1,3-4,7,16H2;1H.
What are the key properties of [2-(5-chloro-4-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride?
[2-(5-chloro-4-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride has a molecular weight of 292.18 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-4-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 127028094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).