(S)-(3-bromo-2-chlorophenyl)-cyclobutylmethanamine

C11H13BrClN — CID 130612686

IUPAC(S)-(3-bromo-2-chlorophenyl)-cyclobutylmethanamine
SMILESN[C@H](c1cccc(Br)c1Cl)C1CCC1
InChIInChI=1S/C11H13BrClN/c12-9-6-2-5-8(10(9)13)11(14)7-3-1-4-7/h2,5-7,11H,1,3-4,14H2/t11-/m0/s1
InChIKeyRPNYVHNWMOLXBG-NSHDSACASA-N
MW274.59 g/mol
LogP3.90
Rot. Bonds2

About (S)-(3-bromo-2-chlorophenyl)-cyclobutylmethanamine

(S)-(3-bromo-2-chlorophenyl)-cyclobutylmethanamine (PubChem CID 130612686) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is (S)-(3-bromo-2-chlorophenyl)-cyclobutylmethanamine.

Molecular Properties

Compound Name(S)-(3-bromo-2-chlorophenyl)-cyclobutylmethanamine
PubChem CID130612686
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC Name(S)-(3-bromo-2-chlorophenyl)-cyclobutylmethanamine
SMILESN[C@H](c1cccc(Br)c1Cl)C1CCC1
InChIInChI=1S/C11H13BrClN/c12-9-6-2-5-8(10(9)13)11(14)7-3-1-4-7/h2,5-7,11H,1,3-4,14H2/t11-/m0/s1
InChIKeyRPNYVHNWMOLXBG-NSHDSACASA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.59
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-(2-bromophenyl)-cyclobutylmethanamine;hydrochloride
CID 171198060
(3-bromo-2-fluorophenyl)-cyclobutylmethanamine
CID 103693583
(2-bromo-6-chlorophenyl)-cyclobutylmethanamine
CID 130166021
cyclopropyl-(2,3-dichlorophenyl)methanamine
CID 62789310
(2-bromo-4-chlorophenyl)-cyclobutylmethanamine
CID 103947074
(S)-(2-bromo-5-chlorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171223307
(R)-(2-bromo-3-methylphenyl)-cyclobutylmethanamine
CID 130714890
1-(3-bromo-2-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 114981468
(R)-(2-chlorophenyl)-cyclopentylmethanamine
CID 91256846
(R)-(2-chloro-3-pyridinyl)-cyclobutylmethanamine
CID 131061254
(1R)-1-(3-bromo-2-chlorophenyl)ethanamine
CID 121347621
(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
CID 112631047

Frequently Asked Questions

What is the IUPAC name of (S)-(3-bromo-2-chlorophenyl)-cyclobutylmethanamine?
The IUPAC name of (S)-(3-bromo-2-chlorophenyl)-cyclobutylmethanamine (CID 130612686) is (S)-(3-bromo-2-chlorophenyl)-cyclobutylmethanamine.
What is the SMILES notation for (S)-(3-bromo-2-chlorophenyl)-cyclobutylmethanamine?
The canonical SMILES for (S)-(3-bromo-2-chlorophenyl)-cyclobutylmethanamine is N[C@H](c1cccc(Br)c1Cl)C1CCC1.
What is the InChIKey of (S)-(3-bromo-2-chlorophenyl)-cyclobutylmethanamine?
The InChIKey is RPNYVHNWMOLXBG-NSHDSACASA-N. The full InChI is InChI=1S/C11H13BrClN/c12-9-6-2-5-8(10(9)13)11(14)7-3-1-4-7/h2,5-7,11H,1,3-4,14H2/t11-/m0/s1.
What are the key properties of (S)-(3-bromo-2-chlorophenyl)-cyclobutylmethanamine?
(S)-(3-bromo-2-chlorophenyl)-cyclobutylmethanamine has a molecular weight of 274.59 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-bromo-2-chlorophenyl)-cyclobutylmethanamine is sourced from PubChem (CID 130612686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).