(R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride

C11H14Cl2FN — CID 171209453

IUPAC(R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(Cl)c(F)c1)C1CCC1
InChIInChI=1S/C11H13ClFN.ClH/c12-9-5-4-8(6-10(9)13)11(14)7-2-1-3-7;/h4-7,11H,1-3,14H2;1H/t11-;/m1./s1
InChIKeyJYIAWTLGPNYIOU-RFVHGSKJSA-N
MW250.14 g/mol
LogP3.70
Rot. Bonds2

About (R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride

(R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride (PubChem CID 171209453) has the molecular formula C11H14Cl2FN and a molecular weight of 250.14 g/mol. Its IUPAC name is (R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride
PubChem CID171209453
Molecular FormulaC11H14Cl2FN
Molecular Weight250.14 g/mol
Exact Mass249.05
IUPAC Name(R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(Cl)c(F)c1)C1CCC1
InChIInChI=1S/C11H13ClFN.ClH/c12-9-5-4-8(6-10(9)13)11(14)7-2-1-3-7;/h4-7,11H,1-3,14H2;1H/t11-;/m1./s1
InChIKeyJYIAWTLGPNYIOU-RFVHGSKJSA-N
XLogP3.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-(4-chloro-3-fluorophenyl)-(oxan-4-yl)methanamine
CID 131292483
(4-chloro-3-fluorophenyl)-(oxan-3-yl)methanamine
CID 107996101
(3-chloro-4-fluorophenyl)-cyclohexylmethanamine
CID 63093302
(R)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethanamine;hydrochloride
CID 171207653
(4-chloro-3-fluorophenyl)-(3,5-dimethylcyclohexyl)methanamine
CID 107993524
(4-chloro-3-fluorophenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 114025177
(S)-cyclopropyl-(3,4-difluorophenyl)methanamine;hydrochloride
CID 171229648
(S)-(3-chloro-4-methylphenyl)-cyclobutylmethanamine;hydrochloride
CID 171224005
(R)-(4-bromo-3-fluorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171201791
(S)-(3-bromo-4-chlorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171222569
(1R,2S)-2-amino-2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanol
CID 171161318
(S)-(4-bromo-3-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171221330

Frequently Asked Questions

What is the IUPAC name of (R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride?
The IUPAC name of (R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride (CID 171209453) is (R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride?
The canonical SMILES for (R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride is Cl.N[C@@H](c1ccc(Cl)c(F)c1)C1CCC1.
What is the InChIKey of (R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride?
The InChIKey is JYIAWTLGPNYIOU-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H13ClFN.ClH/c12-9-5-4-8(6-10(9)13)11(14)7-2-1-3-7;/h4-7,11H,1-3,14H2;1H/t11-;/m1./s1.
What are the key properties of (R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride?
(R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride has a molecular weight of 250.14 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride is sourced from PubChem (CID 171209453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).