4-[(R)-amino(cyclopropyl)methyl]-2-bromo-6-ethoxyphenol;hydrochloride

C12H17BrClNO2 — CID 171207484

IUPAC4-[(R)-amino(cyclopropyl)methyl]-2-bromo-6-ethoxyphenol;hydrochloride
SMILESCCOc1cc([C@H](N)C2CC2)cc(Br)c1O.Cl
InChIInChI=1S/C12H16BrNO2.ClH/c1-2-16-10-6-8(5-9(13)12(10)15)11(14)7-3-4-7;/h5-7,11,15H,2-4,14H2,1H3;1H/t11-;/m1./s1
InChIKeyICYDYPQYKHRYQO-RFVHGSKJSA-N
MW322.63 g/mol
LogP3.38
Rot. Bonds4

About 4-[(R)-amino(cyclopropyl)methyl]-2-bromo-6-ethoxyphenol;hydrochloride

4-[(R)-amino(cyclopropyl)methyl]-2-bromo-6-ethoxyphenol;hydrochloride (PubChem CID 171207484) has the molecular formula C12H17BrClNO2 and a molecular weight of 322.63 g/mol. Its IUPAC name is 4-[(R)-amino(cyclopropyl)methyl]-2-bromo-6-ethoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(R)-amino(cyclopropyl)methyl]-2-bromo-6-ethoxyphenol;hydrochloride
PubChem CID171207484
Molecular FormulaC12H17BrClNO2
Molecular Weight322.63 g/mol
Exact Mass321.01
IUPAC Name4-[(R)-amino(cyclopropyl)methyl]-2-bromo-6-ethoxyphenol;hydrochloride
SMILESCCOc1cc([C@H](N)C2CC2)cc(Br)c1O.Cl
InChIInChI=1S/C12H16BrNO2.ClH/c1-2-16-10-6-8(5-9(13)12(10)15)11(14)7-3-4-7;/h5-7,11,15H,2-4,14H2,1H3;1H/t11-;/m1./s1
InChIKeyICYDYPQYKHRYQO-RFVHGSKJSA-N
XLogP3.38
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.63
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(R)-amino(cyclopropyl)methyl]-2,6-dibromophenol;hydrochloride
CID 171200000
4-[(S)-amino(cyclopropyl)methyl]-2-ethoxyphenol;hydrochloride
CID 171220383
4-[(1R)-1-amino-2-hydroxyethyl]-2-bromo-6-ethoxyphenol
CID 66516017
4-[(R)-amino(cyclopropyl)methyl]-2-ethoxyphenol
CID 171200844
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-bromo-6-ethoxyphenol;hydrochloride
CID 171242179
4-[(1S)-1-amino-3-fluoropropyl]-2-bromo-6-ethoxyphenol
CID 171227057
(3R)-3-amino-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)propanenitrile;hydrochloride
CID 171260487
2-bromo-4-[(1S)-1,5-diaminopentyl]-6-ethoxyphenol;hydrochloride
CID 171227035
2-bromo-4-[(R)-cyclopropyl(piperazin-1-yl)methyl]-6-ethoxyphenol
CID 171291740
4-[(1R)-1-amino-4-hydroxybutyl]-2-bromo-6-ethoxyphenol
CID 171207508
(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethanamine
CID 4661374
(4-bromo-2,5-diethoxyphenyl)-cyclopropylmethanamine
CID 4683614

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-amino(cyclopropyl)methyl]-2-bromo-6-ethoxyphenol;hydrochloride?
The IUPAC name of 4-[(R)-amino(cyclopropyl)methyl]-2-bromo-6-ethoxyphenol;hydrochloride (CID 171207484) is 4-[(R)-amino(cyclopropyl)methyl]-2-bromo-6-ethoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(R)-amino(cyclopropyl)methyl]-2-bromo-6-ethoxyphenol;hydrochloride?
The canonical SMILES for 4-[(R)-amino(cyclopropyl)methyl]-2-bromo-6-ethoxyphenol;hydrochloride is CCOc1cc([C@H](N)C2CC2)cc(Br)c1O.Cl.
What is the InChIKey of 4-[(R)-amino(cyclopropyl)methyl]-2-bromo-6-ethoxyphenol;hydrochloride?
The InChIKey is ICYDYPQYKHRYQO-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H16BrNO2.ClH/c1-2-16-10-6-8(5-9(13)12(10)15)11(14)7-3-4-7;/h5-7,11,15H,2-4,14H2,1H3;1H/t11-;/m1./s1.
What are the key properties of 4-[(R)-amino(cyclopropyl)methyl]-2-bromo-6-ethoxyphenol;hydrochloride?
4-[(R)-amino(cyclopropyl)methyl]-2-bromo-6-ethoxyphenol;hydrochloride has a molecular weight of 322.63 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-amino(cyclopropyl)methyl]-2-bromo-6-ethoxyphenol;hydrochloride is sourced from PubChem (CID 171207484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).