[(1S,2S)-2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride

C12H16Cl2FNO — CID 118733805

IUPAC[(1S,2S)-2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCCF
InChIInChI=1S/C12H15ClFNO.ClH/c13-9-1-2-12(16-4-3-14)11(6-9)10-5-8(10)7-15;/h1-2,6,8,10H,3-5,7,15H2;1H/t8-,10+;/m1./s1
InChIKeyXHNQQEONWOZBRI-SCYNACPDSA-N
MW280.17 g/mol
LogP3.17
Rot. Bonds5

About [(1S,2S)-2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride

[(1S,2S)-2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride (PubChem CID 118733805) has the molecular formula C12H16Cl2FNO and a molecular weight of 280.17 g/mol. Its IUPAC name is [(1S,2S)-2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1S,2S)-2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride
PubChem CID118733805
Molecular FormulaC12H16Cl2FNO
Molecular Weight280.17 g/mol
Exact Mass279.06
IUPAC Name[(1S,2S)-2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCCF
InChIInChI=1S/C12H15ClFNO.ClH/c13-9-1-2-12(16-4-3-14)11(6-9)10-5-8(10)7-15;/h1-2,6,8,10H,3-5,7,15H2;1H/t8-,10+;/m1./s1
InChIKeyXHNQQEONWOZBRI-SCYNACPDSA-N
XLogP3.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1S,2S)-2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(2-phenylmethoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 70693927

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1S,2S)-2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride (CID 118733805) is [(1S,2S)-2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1S,2S)-2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1S,2S)-2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride is Cl.NC[C@H]1C[C@@H]1c1cc(Cl)ccc1OCCF.
What is the InChIKey of [(1S,2S)-2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride?
The InChIKey is XHNQQEONWOZBRI-SCYNACPDSA-N. The full InChI is InChI=1S/C12H15ClFNO.ClH/c13-9-1-2-12(16-4-3-14)11(6-9)10-5-8(10)7-15;/h1-2,6,8,10H,3-5,7,15H2;1H/t8-,10+;/m1./s1.
What are the key properties of [(1S,2S)-2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride?
[(1S,2S)-2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride has a molecular weight of 280.17 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 118733805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).