4-[(R)-amino(cyclopropyl)methyl]-2,6-dibromophenol;hydrochloride

C10H12Br2ClNO — CID 171200000

IUPAC4-[(R)-amino(cyclopropyl)methyl]-2,6-dibromophenol;hydrochloride
SMILESCl.N[C@@H](c1cc(Br)c(O)c(Br)c1)C1CC1
InChIInChI=1S/C10H11Br2NO.ClH/c11-7-3-6(4-8(12)10(7)14)9(13)5-1-2-5;/h3-5,9,14H,1-2,13H2;1H/t9-;/m1./s1
InChIKeyPDOSYIANDCMWNT-SBSPUUFOSA-N
MW357.47 g/mol
LogP3.75
Rot. Bonds2

About 4-[(R)-amino(cyclopropyl)methyl]-2,6-dibromophenol;hydrochloride

4-[(R)-amino(cyclopropyl)methyl]-2,6-dibromophenol;hydrochloride (PubChem CID 171200000) has the molecular formula C10H12Br2ClNO and a molecular weight of 357.47 g/mol. Its IUPAC name is 4-[(R)-amino(cyclopropyl)methyl]-2,6-dibromophenol;hydrochloride.

Molecular Properties

Compound Name4-[(R)-amino(cyclopropyl)methyl]-2,6-dibromophenol;hydrochloride
PubChem CID171200000
Molecular FormulaC10H12Br2ClNO
Molecular Weight357.47 g/mol
Exact Mass354.90
IUPAC Name4-[(R)-amino(cyclopropyl)methyl]-2,6-dibromophenol;hydrochloride
SMILESCl.N[C@@H](c1cc(Br)c(O)c(Br)c1)C1CC1
InChIInChI=1S/C10H11Br2NO.ClH/c11-7-3-6(4-8(12)10(7)14)9(13)5-1-2-5;/h3-5,9,14H,1-2,13H2;1H/t9-;/m1./s1
InChIKeyPDOSYIANDCMWNT-SBSPUUFOSA-N
XLogP3.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(R)-amino(cyclopropyl)methyl]-2-bromo-6-ethoxyphenol;hydrochloride
CID 171207484
2-[(S)-amino(cyclopropyl)methyl]-4,6-dibromophenol;hydrochloride
CID 171217183
4-[(S)-amino(cyclopropyl)methyl]-2,6-diiodophenol
CID 130731094
4-[(S)-amino(cyclopropyl)methyl]-2-bromo-6-fluoroaniline
CID 130691425
(R)-cyclobutyl-(3,5-dibromophenyl)methanamine;hydrochloride
CID 171213936
4-[(S)-amino(cyclobutyl)methyl]-2,6-dimethylphenol;hydrochloride
CID 171224638
(R)-(3-bromo-4-fluorophenyl)-cyclopropylmethanamine
CID 130739408
4-[(S)-amino(cyclohexyl)methyl]-2,6-ditert-butylphenol;hydrochloride
CID 171217339
4-[(R)-amino(cyclopropyl)methyl]benzene-1,2-diol;hydrochloride
CID 171198097
4-[(R)-amino(oxan-4-yl)methyl]-2-bromophenol
CID 131552717
3-[(R)-amino(cyclopropyl)methyl]-5-bromo-4-hydroxybenzonitrile
CID 131382433
3-[(S)-amino(cyclopropyl)methyl]-5-bromo-4-hydroxybenzonitrile
CID 131336404

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-amino(cyclopropyl)methyl]-2,6-dibromophenol;hydrochloride?
The IUPAC name of 4-[(R)-amino(cyclopropyl)methyl]-2,6-dibromophenol;hydrochloride (CID 171200000) is 4-[(R)-amino(cyclopropyl)methyl]-2,6-dibromophenol;hydrochloride.
What is the SMILES notation for 4-[(R)-amino(cyclopropyl)methyl]-2,6-dibromophenol;hydrochloride?
The canonical SMILES for 4-[(R)-amino(cyclopropyl)methyl]-2,6-dibromophenol;hydrochloride is Cl.N[C@@H](c1cc(Br)c(O)c(Br)c1)C1CC1.
What is the InChIKey of 4-[(R)-amino(cyclopropyl)methyl]-2,6-dibromophenol;hydrochloride?
The InChIKey is PDOSYIANDCMWNT-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H11Br2NO.ClH/c11-7-3-6(4-8(12)10(7)14)9(13)5-1-2-5;/h3-5,9,14H,1-2,13H2;1H/t9-;/m1./s1.
What are the key properties of 4-[(R)-amino(cyclopropyl)methyl]-2,6-dibromophenol;hydrochloride?
4-[(R)-amino(cyclopropyl)methyl]-2,6-dibromophenol;hydrochloride has a molecular weight of 357.47 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-amino(cyclopropyl)methyl]-2,6-dibromophenol;hydrochloride is sourced from PubChem (CID 171200000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).