2-[(R)-amino(cyclobutyl)methyl]-5-bromophenol

C11H14BrNO — CID 130901915

IUPAC2-[(R)-amino(cyclobutyl)methyl]-5-bromophenol
SMILESN[C@@H](c1ccc(Br)cc1O)C1CCC1
InChIInChI=1S/C11H14BrNO/c12-8-4-5-9(10(14)6-8)11(13)7-2-1-3-7/h4-7,11,14H,1-3,13H2/t11-/m1/s1
InChIKeyBVIRFFZSDZWDQO-LLVKDONJSA-N
MW256.14 g/mol
LogP2.95
Rot. Bonds2

About 2-[(R)-amino(cyclobutyl)methyl]-5-bromophenol

2-[(R)-amino(cyclobutyl)methyl]-5-bromophenol (PubChem CID 130901915) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-[(R)-amino(cyclobutyl)methyl]-5-bromophenol.

Molecular Properties

Compound Name2-[(R)-amino(cyclobutyl)methyl]-5-bromophenol
PubChem CID130901915
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-[(R)-amino(cyclobutyl)methyl]-5-bromophenol
SMILESN[C@@H](c1ccc(Br)cc1O)C1CCC1
InChIInChI=1S/C11H14BrNO/c12-8-4-5-9(10(14)6-8)11(13)7-2-1-3-7/h4-7,11,14H,1-3,13H2/t11-/m1/s1
InChIKeyBVIRFFZSDZWDQO-LLVKDONJSA-N
XLogP2.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol
CID 130606689
2-[(R)-amino(cyclobutyl)methyl]-5-fluorophenol
CID 131076706
(R)-(4-bromo-2-chlorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171204069
(5-bromo-2-chlorophenyl)-cyclobutylmethanamine
CID 112631034
2-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-5-bromophenol
CID 171262376
(S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine
CID 171223645
cyclooctyl-(2,5-dibromophenyl)methanamine
CID 65018447
(S)-(5-bromo-1H-indol-3-yl)-cyclobutylmethanamine
CID 95431608
4-[(R)-amino(cyclopropyl)methyl]benzene-1,3-diol;hydrochloride
CID 171200126
2-[(R)-amino(cyclobutyl)methyl]-4,6-dibromophenol
CID 131534565
2-[(S)-amino(cyclopentyl)methyl]phenol
CID 130665653
(S)-(4-bromo-2-chlorophenyl)-cyclopropylmethanamine
CID 130618338

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(cyclobutyl)methyl]-5-bromophenol?
The IUPAC name of 2-[(R)-amino(cyclobutyl)methyl]-5-bromophenol (CID 130901915) is 2-[(R)-amino(cyclobutyl)methyl]-5-bromophenol.
What is the SMILES notation for 2-[(R)-amino(cyclobutyl)methyl]-5-bromophenol?
The canonical SMILES for 2-[(R)-amino(cyclobutyl)methyl]-5-bromophenol is N[C@@H](c1ccc(Br)cc1O)C1CCC1.
What is the InChIKey of 2-[(R)-amino(cyclobutyl)methyl]-5-bromophenol?
The InChIKey is BVIRFFZSDZWDQO-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14BrNO/c12-8-4-5-9(10(14)6-8)11(13)7-2-1-3-7/h4-7,11,14H,1-3,13H2/t11-/m1/s1.
What are the key properties of 2-[(R)-amino(cyclobutyl)methyl]-5-bromophenol?
2-[(R)-amino(cyclobutyl)methyl]-5-bromophenol has a molecular weight of 256.14 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(cyclobutyl)methyl]-5-bromophenol is sourced from PubChem (CID 130901915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).