[2-[5-chloro-4-fluoro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride

C12H15Cl2F2NO — CID 127029581

IUPAC[2-[5-chloro-4-fluoro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride
SMILESCl.NCC1CC1c1cc(Cl)c(F)cc1OCCF
InChIInChI=1S/C12H14ClF2NO.ClH/c13-10-4-9(8-3-7(8)6-16)12(5-11(10)15)17-2-1-14;/h4-5,7-8H,1-3,6,16H2;1H
InChIKeyDONNJXVUHXCJHL-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.31
Rot. Bonds5

About [2-[5-chloro-4-fluoro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride

[2-[5-chloro-4-fluoro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride (PubChem CID 127029581) has the molecular formula C12H15Cl2F2NO and a molecular weight of 298.16 g/mol. Its IUPAC name is [2-[5-chloro-4-fluoro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-[5-chloro-4-fluoro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride
PubChem CID127029581
Molecular FormulaC12H15Cl2F2NO
Molecular Weight298.16 g/mol
Exact Mass297.05
IUPAC Name[2-[5-chloro-4-fluoro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride
SMILESCl.NCC1CC1c1cc(Cl)c(F)cc1OCCF
InChIInChI=1S/C12H14ClF2NO.ClH/c13-10-4-9(8-3-7(8)6-16)12(5-11(10)15)17-2-1-14;/h4-5,7-8H,1-3,6,16H2;1H
InChIKeyDONNJXVUHXCJHL-UHFFFAOYSA-N
XLogP3.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,3-Dichloro-6-methoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 127028423
[(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-(5-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 92042918
[(1S,2S)-2-[5-fluoro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride
CID 92042920
[(1R,2R)-2-(5-chloro-2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 118733759
[(1S,2S)-2-(5-chloro-2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 118733761
[(1S,2S)-2-(5-chloro-2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 118733765
[(1R,2R)-2-(2-butoxy-5-chlorophenyl)cyclopropyl]methanamine;2,2,2-trifluoroacetic acid
CID 118733767
[(1S,2S)-2-(2-butoxy-5-chlorophenyl)cyclopropyl]methanamine;2,2,2-trifluoroacetic acid
CID 118733769

Frequently Asked Questions

What is the IUPAC name of [2-[5-chloro-4-fluoro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [2-[5-chloro-4-fluoro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride (CID 127029581) is [2-[5-chloro-4-fluoro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [2-[5-chloro-4-fluoro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [2-[5-chloro-4-fluoro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride is Cl.NCC1CC1c1cc(Cl)c(F)cc1OCCF.
What is the InChIKey of [2-[5-chloro-4-fluoro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride?
The InChIKey is DONNJXVUHXCJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2NO.ClH/c13-10-4-9(8-3-7(8)6-16)12(5-11(10)15)17-2-1-14;/h4-5,7-8H,1-3,6,16H2;1H.
What are the key properties of [2-[5-chloro-4-fluoro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride?
[2-[5-chloro-4-fluoro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride has a molecular weight of 298.16 g/mol, XLogP of 3.31, 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-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 127029581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).