cis-(1S,2S)-2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride

C12H16ClF2NO — CID 162306120

IUPACcis-(1S,2S)-2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride
SMILESCl.N[C@H]1CCC[C@@H]1COc1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO.ClH/c13-9-4-5-12(10(14)6-9)16-7-8-2-1-3-11(8)15;/h4-6,8,11H,1-3,7,15H2;1H/t8-,11+;/m1./s1
InChIKeyREPKXTJUUMNMGJ-NINOIYOQSA-N
MW263.71 g/mol
LogP2.89
Rot. Bonds3

About cis-(1S,2S)-2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride

cis-(1S,2S)-2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride (PubChem CID 162306120) has the molecular formula C12H16ClF2NO and a molecular weight of 263.71 g/mol. Its IUPAC name is cis-(1S,2S)-2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1S,2S)-2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride
PubChem CID162306120
Molecular FormulaC12H16ClF2NO
Molecular Weight263.71 g/mol
Exact Mass263.09
IUPAC Namecis-(1S,2S)-2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride
SMILESCl.N[C@H]1CCC[C@@H]1COc1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO.ClH/c13-9-4-5-12(10(14)6-9)16-7-8-2-1-3-11(8)15;/h4-6,8,11H,1-3,7,15H2;1H/t8-,11+;/m1./s1
InChIKeyREPKXTJUUMNMGJ-NINOIYOQSA-N
XLogP2.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.71
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cis-(1S,2S)-2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;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-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride
CID 154928203
2-(2,4-difluorophenoxy)cyclooctan-1-amine
CID 45253704
4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride
CID 86262593
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233
1-[(4-butylcyclohexyl)methoxy]-2,4-difluorobenzene
CID 67806514
N-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine
CID 62570847
2-(2-aminocyclopentyl)oxy-5-fluorobenzamide
CID 113395445
4-[(2,4-difluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 68714282
N-[2-(aminomethyl)cyclohexyl]-2-(2,4-difluorophenoxy)acetamide
CID 119610188
3-[2-(cyclopropylmethoxy)-5-fluorophenyl]butan-1-amine
CID 117347326
cis-(1R,2S)-2-[(4-fluorophenyl)methyl]cyclopentan-1-amine
CID 92754817
1-(aminomethyl)-2-[2-(2,4-difluorophenoxy)ethyl]cyclopentan-1-ol
CID 79587266

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of cis-(1S,2S)-2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride (CID 162306120) is cis-(1S,2S)-2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1S,2S)-2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for cis-(1S,2S)-2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride is Cl.N[C@H]1CCC[C@@H]1COc1ccc(F)cc1F.
What is the InChIKey of cis-(1S,2S)-2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride?
The InChIKey is REPKXTJUUMNMGJ-NINOIYOQSA-N. The full InChI is InChI=1S/C12H15F2NO.ClH/c13-9-4-5-12(10(14)6-9)16-7-8-2-1-3-11(8)15;/h4-6,8,11H,1-3,7,15H2;1H/t8-,11+;/m1./s1.
What are the key properties of cis-(1S,2S)-2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride?
cis-(1S,2S)-2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride has a molecular weight of 263.71 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 162306120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).