(R)-(4-bromo-3-fluorophenyl)-cyclopentylmethanamine;hydrochloride

C12H16BrClFN — CID 171201791

IUPAC(R)-(4-bromo-3-fluorophenyl)-cyclopentylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(Br)c(F)c1)C1CCCC1
InChIInChI=1S/C12H15BrFN.ClH/c13-10-6-5-9(7-11(10)14)12(15)8-3-1-2-4-8;/h5-8,12H,1-4,15H2;1H/t12-;/m1./s1
InChIKeyKOXVTTBSGPASGM-UTONKHPSSA-N
MW308.62 g/mol
LogP4.20
Rot. Bonds2

About (R)-(4-bromo-3-fluorophenyl)-cyclopentylmethanamine;hydrochloride

(R)-(4-bromo-3-fluorophenyl)-cyclopentylmethanamine;hydrochloride (PubChem CID 171201791) has the molecular formula C12H16BrClFN and a molecular weight of 308.62 g/mol. Its IUPAC name is (R)-(4-bromo-3-fluorophenyl)-cyclopentylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(4-bromo-3-fluorophenyl)-cyclopentylmethanamine;hydrochloride
PubChem CID171201791
Molecular FormulaC12H16BrClFN
Molecular Weight308.62 g/mol
Exact Mass307.01
IUPAC Name(R)-(4-bromo-3-fluorophenyl)-cyclopentylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(Br)c(F)c1)C1CCCC1
InChIInChI=1S/C12H15BrFN.ClH/c13-10-6-5-9(7-11(10)14)12(15)8-3-1-2-4-8;/h5-8,12H,1-4,15H2;1H/t12-;/m1./s1
InChIKeyKOXVTTBSGPASGM-UTONKHPSSA-N
XLogP4.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.62
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-(4-bromo-3-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171221330
(R)-(3-bromo-4-fluorophenyl)-cyclobutylmethanamine
CID 130054470
(1S,2R)-2-amino-2-(4-bromo-3-fluorophenyl)-1-cyclohexylethanol;hydrochloride
CID 171261536
(R)-(3-bromo-4-fluorophenyl)-cyclopropylmethanamine
CID 130739408
(S)-cyclopropyl-(3,4-difluorophenyl)methanamine;hydrochloride
CID 171229648
(R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171209453
(S)-(3-bromo-4-chlorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171222569
(4-bromo-3-fluorophenyl)-(1,1-dioxothiolan-3-yl)methanamine
CID 81441963
(4-bromo-3-chlorophenyl)-cyclobutylmethanamine
CID 112630976
(R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199156
[(4-bromo-3-fluorophenyl)-cyclobutylmethyl]hydrazine
CID 105340166
(S)-(3-bromo-4-chlorophenyl)-cyclohexylmethanamine
CID 171222570

Frequently Asked Questions

What is the IUPAC name of (R)-(4-bromo-3-fluorophenyl)-cyclopentylmethanamine;hydrochloride?
The IUPAC name of (R)-(4-bromo-3-fluorophenyl)-cyclopentylmethanamine;hydrochloride (CID 171201791) is (R)-(4-bromo-3-fluorophenyl)-cyclopentylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(4-bromo-3-fluorophenyl)-cyclopentylmethanamine;hydrochloride?
The canonical SMILES for (R)-(4-bromo-3-fluorophenyl)-cyclopentylmethanamine;hydrochloride is Cl.N[C@@H](c1ccc(Br)c(F)c1)C1CCCC1.
What is the InChIKey of (R)-(4-bromo-3-fluorophenyl)-cyclopentylmethanamine;hydrochloride?
The InChIKey is KOXVTTBSGPASGM-UTONKHPSSA-N. The full InChI is InChI=1S/C12H15BrFN.ClH/c13-10-6-5-9(7-11(10)14)12(15)8-3-1-2-4-8;/h5-8,12H,1-4,15H2;1H/t12-;/m1./s1.
What are the key properties of (R)-(4-bromo-3-fluorophenyl)-cyclopentylmethanamine;hydrochloride?
(R)-(4-bromo-3-fluorophenyl)-cyclopentylmethanamine;hydrochloride has a molecular weight of 308.62 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-bromo-3-fluorophenyl)-cyclopentylmethanamine;hydrochloride is sourced from PubChem (CID 171201791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).