(S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride

C11H15BrClN — CID 171218741

IUPAC(S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride
SMILESCl.N[C@H](c1cccc(Br)c1)C1CCC1
InChIInChI=1S/C11H14BrN.ClH/c12-10-6-2-5-9(7-10)11(13)8-3-1-4-8;/h2,5-8,11H,1,3-4,13H2;1H/t11-;/m0./s1
InChIKeyLZORVGDXJQZPNL-MERQFXBCSA-N
MW276.60 g/mol
LogP3.67
Rot. Bonds2

About (S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride

(S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride (PubChem CID 171218741) has the molecular formula C11H15BrClN and a molecular weight of 276.60 g/mol. Its IUPAC name is (S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride
PubChem CID171218741
Molecular FormulaC11H15BrClN
Molecular Weight276.60 g/mol
Exact Mass275.01
IUPAC Name(S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride
SMILESCl.N[C@H](c1cccc(Br)c1)C1CCC1
InChIInChI=1S/C11H14BrN.ClH/c12-10-6-2-5-9(7-10)11(13)8-3-1-4-8;/h2,5-8,11H,1,3-4,13H2;1H/t11-;/m0./s1
InChIKeyLZORVGDXJQZPNL-MERQFXBCSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.60
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-(3-bromophenyl)-cyclohexylmethanamine
CID 93312550
(3-bromophenyl)-cyclopropylmethanamine;hydrochloride
CID 166600425
(3-bromophenyl)-(oxan-4-yl)methanamine
CID 63934860
(R)-cyclobutyl-(3,5-dibromophenyl)methanamine;hydrochloride
CID 171213936
3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride
CID 171218060
(R)-cyclobutyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199154
(R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride
CID 171211996
3-[amino-(3-bromophenyl)methyl]cyclobutan-1-amine
CID 116937412
(S)-cyclobutyl-(3-phenylphenyl)methanamine;hydrochloride
CID 171234225
(R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206809
(S)-cyclohexyl-(3-iodophenyl)methanamine;hydrochloride
CID 171230172
(R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199156

Frequently Asked Questions

What is the IUPAC name of (S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride?
The IUPAC name of (S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride (CID 171218741) is (S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride?
The canonical SMILES for (S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride is Cl.N[C@H](c1cccc(Br)c1)C1CCC1.
What is the InChIKey of (S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride?
The InChIKey is LZORVGDXJQZPNL-MERQFXBCSA-N. The full InChI is InChI=1S/C11H14BrN.ClH/c12-10-6-2-5-9(7-10)11(13)8-3-1-4-8;/h2,5-8,11H,1,3-4,13H2;1H/t11-;/m0./s1.
What are the key properties of (S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride?
(S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride has a molecular weight of 276.60 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride is sourced from PubChem (CID 171218741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).