3-[(1R)-1-(2-bromoprop-2-enylamino)ethyl]phenol

C11H14BrNO — CID 124596699

IUPAC3-[(1R)-1-(2-bromoprop-2-enylamino)ethyl]phenol
SMILESC=C(Br)CN[C@H](C)c1cccc(O)c1
InChIInChI=1S/C11H14BrNO/c1-8(12)7-13-9(2)10-4-3-5-11(14)6-10/h3-6,9,13-14H,1,7H2,2H3/t9-/m1/s1
InChIKeyWMSPXHQCMCWPKS-SECBINFHSA-N
MW256.14 g/mol
LogP2.95
Rot. Bonds4

About 3-[(1R)-1-(2-bromoprop-2-enylamino)ethyl]phenol

3-[(1R)-1-(2-bromoprop-2-enylamino)ethyl]phenol (PubChem CID 124596699) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 3-[(1R)-1-(2-bromoprop-2-enylamino)ethyl]phenol.

Molecular Properties

Compound Name3-[(1R)-1-(2-bromoprop-2-enylamino)ethyl]phenol
PubChem CID124596699
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name3-[(1R)-1-(2-bromoprop-2-enylamino)ethyl]phenol
SMILESC=C(Br)CN[C@H](C)c1cccc(O)c1
InChIInChI=1S/C11H14BrNO/c1-8(12)7-13-9(2)10-4-3-5-11(14)6-10/h3-6,9,13-14H,1,7H2,2H3/t9-/m1/s1
InChIKeyWMSPXHQCMCWPKS-SECBINFHSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

3-[(1S)-1-(3-methylbut-2-enylamino)ethyl]phenol
CID 122156905
N-tert-butyl-2-[1-(3-hydroxyphenyl)ethylamino]acetamide
CID 113293150
3-[1-(2,2-difluoroethylamino)ethyl]phenol
CID 115405831
2-bromo-N-[1-(3,5-dimethylphenyl)ethyl]prop-2-en-1-amine
CID 115717133
3-[1-[(3,5-dichlorophenyl)methylamino]ethyl]phenol
CID 60790186
2-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]prop-2-en-1-amine
CID 81348608
3-[1-(hydroxyamino)ethyl]phenol
CID 82684421
3-[1-(2,2-dimethoxyethylamino)ethyl]phenol
CID 60816650
3-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
CID 83141752
N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroprop-2-en-1-amine
CID 81382108
3-[1-(2-methylpentylamino)ethyl]phenol
CID 43748423
3-[1-(cyclobutylmethylamino)ethyl]phenol
CID 43298395

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(2-bromoprop-2-enylamino)ethyl]phenol?
The IUPAC name of 3-[(1R)-1-(2-bromoprop-2-enylamino)ethyl]phenol (CID 124596699) is 3-[(1R)-1-(2-bromoprop-2-enylamino)ethyl]phenol.
What is the SMILES notation for 3-[(1R)-1-(2-bromoprop-2-enylamino)ethyl]phenol?
The canonical SMILES for 3-[(1R)-1-(2-bromoprop-2-enylamino)ethyl]phenol is C=C(Br)CN[C@H](C)c1cccc(O)c1.
What is the InChIKey of 3-[(1R)-1-(2-bromoprop-2-enylamino)ethyl]phenol?
The InChIKey is WMSPXHQCMCWPKS-SECBINFHSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-8(12)7-13-9(2)10-4-3-5-11(14)6-10/h3-6,9,13-14H,1,7H2,2H3/t9-/m1/s1.
What are the key properties of 3-[(1R)-1-(2-bromoprop-2-enylamino)ethyl]phenol?
3-[(1R)-1-(2-bromoprop-2-enylamino)ethyl]phenol has a molecular weight of 256.14 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(2-bromoprop-2-enylamino)ethyl]phenol is sourced from PubChem (CID 124596699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).