(S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride

C11H14BrCl2N — CID 171223307

IUPAC(S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride
SMILESCl.N[C@H](c1cc(Cl)ccc1Br)C1CCC1
InChIInChI=1S/C11H13BrClN.ClH/c12-10-5-4-8(13)6-9(10)11(14)7-2-1-3-7;/h4-7,11H,1-3,14H2;1H/t11-;/m0./s1
InChIKeyZSTHPGALUOVBFH-MERQFXBCSA-N
MW311.05 g/mol
LogP4.32
Rot. Bonds2

About (S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride

(S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride (PubChem CID 171223307) has the molecular formula C11H14BrCl2N and a molecular weight of 311.05 g/mol. Its IUPAC name is (S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride
PubChem CID171223307
Molecular FormulaC11H14BrCl2N
Molecular Weight311.05 g/mol
Exact Mass308.97
IUPAC Name(S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride
SMILESCl.N[C@H](c1cc(Cl)ccc1Br)C1CCC1
InChIInChI=1S/C11H13BrClN.ClH/c12-10-5-4-8(13)6-9(10)11(14)7-2-1-3-7;/h4-7,11H,1-3,14H2;1H/t11-;/m0./s1
InChIKeyZSTHPGALUOVBFH-MERQFXBCSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.05
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-(2-bromo-5-chlorophenyl)-cyclopropylmethanamine
CID 97290672
(R)-(2-bromo-5-chlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171247641
(2-bromo-4-chlorophenyl)-cyclobutylmethanamine
CID 103947074
(R)-cyclobutyl-(2,5-dichlorophenyl)methanamine
CID 130055186
2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride
CID 171217140
(1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclohexylethanol
CID 171262028
(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171202097
cyclooctyl-(2,5-dibromophenyl)methanamine
CID 65018447
(1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclopropylethanol;hydrochloride
CID 171262023
(R)-(2-bromophenyl)-cyclobutylmethanamine;hydrochloride
CID 171198060
3-[(S)-amino(cyclopentyl)methyl]-4-bromophenol
CID 131272939
[2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine
CID 43825557

Frequently Asked Questions

What is the IUPAC name of (S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride?
The IUPAC name of (S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride (CID 171223307) is (S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride?
The canonical SMILES for (S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride is Cl.N[C@H](c1cc(Cl)ccc1Br)C1CCC1.
What is the InChIKey of (S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride?
The InChIKey is ZSTHPGALUOVBFH-MERQFXBCSA-N. The full InChI is InChI=1S/C11H13BrClN.ClH/c12-10-5-4-8(13)6-9(10)11(14)7-2-1-3-7;/h4-7,11H,1-3,14H2;1H/t11-;/m0./s1.
What are the key properties of (S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride?
(S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride has a molecular weight of 311.05 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride is sourced from PubChem (CID 171223307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).