6-[(S)-amino(cyclopropyl)methyl]-2-bromo-3-chlorophenol

C10H11BrClNO — CID 130849466

IUPAC6-[(S)-amino(cyclopropyl)methyl]-2-bromo-3-chlorophenol
SMILESN[C@H](c1ccc(Cl)c(Br)c1O)C1CC1
InChIInChI=1S/C10H11BrClNO/c11-8-7(12)4-3-6(10(8)14)9(13)5-1-2-5/h3-5,9,14H,1-2,13H2/t9-/m0/s1
InChIKeyHOLDRFVCBGILPE-VIFPVBQESA-N
MW276.56 g/mol
LogP3.22
Rot. Bonds2

About 6-[(S)-amino(cyclopropyl)methyl]-2-bromo-3-chlorophenol

6-[(S)-amino(cyclopropyl)methyl]-2-bromo-3-chlorophenol (PubChem CID 130849466) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is 6-[(S)-amino(cyclopropyl)methyl]-2-bromo-3-chlorophenol.

Molecular Properties

Compound Name6-[(S)-amino(cyclopropyl)methyl]-2-bromo-3-chlorophenol
PubChem CID130849466
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC Name6-[(S)-amino(cyclopropyl)methyl]-2-bromo-3-chlorophenol
SMILESN[C@H](c1ccc(Cl)c(Br)c1O)C1CC1
InChIInChI=1S/C10H11BrClNO/c11-8-7(12)4-3-6(10(8)14)9(13)5-1-2-5/h3-5,9,14H,1-2,13H2/t9-/m0/s1
InChIKeyHOLDRFVCBGILPE-VIFPVBQESA-N
XLogP3.22
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 53.22
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

6-[(R)-amino(cyclobutyl)methyl]-2,3-dichlorophenol;hydrochloride
CID 171257346
2-bromo-3-chloro-6-[(1R)-1,2-diaminoethyl]phenol
CID 130863163
2-[(R)-amino(cyclopropyl)methyl]-6-bromo-3-chlorophenol;hydrochloride
CID 171256340
6-[(R)-amino(cyclobutyl)methyl]-2-bromo-3-fluorophenol;hydrochloride
CID 171256976
(S)-(4-bromo-2-chlorophenyl)-cyclopropylmethanamine
CID 130618338
6-(1-amino-2-fluoroethyl)-2-bromo-3-chlorophenol
CID 131093400
6-[(1S)-1-amino-2-hydroxyethyl]-2-bromo-3-chlorophenol;hydrochloride
CID 171257157
2-bromo-3-chloro-6-[(1R)-1,3-diaminopropyl]phenol;hydrochloride
CID 171257185
(R)-cyclopropyl-(2,4-dichlorophenyl)methanamine;hydrochloride
CID 171212549
2-[(S)-amino(cyclopropyl)methyl]-4,6-dichlorophenol;hydrochloride
CID 171217225
2-[(S)-amino(cyclopentyl)methyl]-4-bromo-6-chlorophenol
CID 131586539
4-[amino(cyclopropyl)methyl]-3-chloroaniline
CID 55268901

Frequently Asked Questions

What is the IUPAC name of 6-[(S)-amino(cyclopropyl)methyl]-2-bromo-3-chlorophenol?
The IUPAC name of 6-[(S)-amino(cyclopropyl)methyl]-2-bromo-3-chlorophenol (CID 130849466) is 6-[(S)-amino(cyclopropyl)methyl]-2-bromo-3-chlorophenol.
What is the SMILES notation for 6-[(S)-amino(cyclopropyl)methyl]-2-bromo-3-chlorophenol?
The canonical SMILES for 6-[(S)-amino(cyclopropyl)methyl]-2-bromo-3-chlorophenol is N[C@H](c1ccc(Cl)c(Br)c1O)C1CC1.
What is the InChIKey of 6-[(S)-amino(cyclopropyl)methyl]-2-bromo-3-chlorophenol?
The InChIKey is HOLDRFVCBGILPE-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11BrClNO/c11-8-7(12)4-3-6(10(8)14)9(13)5-1-2-5/h3-5,9,14H,1-2,13H2/t9-/m0/s1.
What are the key properties of 6-[(S)-amino(cyclopropyl)methyl]-2-bromo-3-chlorophenol?
6-[(S)-amino(cyclopropyl)methyl]-2-bromo-3-chlorophenol has a molecular weight of 276.56 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(S)-amino(cyclopropyl)methyl]-2-bromo-3-chlorophenol is sourced from PubChem (CID 130849466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).