(2R)-2-(4-bromophenyl)-2-(prop-2-enylamino)ethanol

C11H14BrNO — CID 135338076

IUPAC(2R)-2-(4-bromophenyl)-2-(prop-2-enylamino)ethanol
SMILESC=CCN[C@@H](CO)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO/c1-2-7-13-11(8-14)9-3-5-10(12)6-4-9/h2-6,11,13-14H,1,7-8H2/t11-/m0/s1
InChIKeyLITCIGNFUTYNRM-NSHDSACASA-N
MW256.14 g/mol
LogP2.26
Rot. Bonds5

About (2R)-2-(4-bromophenyl)-2-(prop-2-enylamino)ethanol

(2R)-2-(4-bromophenyl)-2-(prop-2-enylamino)ethanol (PubChem CID 135338076) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is (2R)-2-(4-bromophenyl)-2-(prop-2-enylamino)ethanol.

Molecular Properties

Compound Name(2R)-2-(4-bromophenyl)-2-(prop-2-enylamino)ethanol
PubChem CID135338076
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name(2R)-2-(4-bromophenyl)-2-(prop-2-enylamino)ethanol
SMILESC=CCN[C@@H](CO)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO/c1-2-7-13-11(8-14)9-3-5-10(12)6-4-9/h2-6,11,13-14H,1,7-8H2/t11-/m0/s1
InChIKeyLITCIGNFUTYNRM-NSHDSACASA-N
XLogP2.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)-2-(2-methoxyethylamino)ethanol
CID 62543970
1-[(1S)-1-(4-bromophenyl)propyl]-3-prop-2-enylthiourea
CID 8696980
1-(4-bromophenyl)-N-butylbut-3-en-1-amine
CID 177091582
(2R)-2-(but-3-enylamino)-2-phenylethanol
CID 14716014
1-(4-bromophenyl)-N-but-3-en-2-ylbut-3-en-1-amine
CID 101202887
(2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol
CID 103784133
(2S)-2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 103729730
2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 55158261
N-[1-(4-bromophenyl)-2-hydroxyethyl]-2-chloroacetamide;ethane
CID 168962930
1-phenyl-N-prop-2-enylbutan-1-amine
CID 43177099
3-(4-bromophenyl)-3-(methylamino)propan-1-ol
CID 64814914
3-(4-bromophenyl)-3-(pent-4-enoylamino)propanoic acid
CID 75513310

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenyl)-2-(prop-2-enylamino)ethanol?
The IUPAC name of (2R)-2-(4-bromophenyl)-2-(prop-2-enylamino)ethanol (CID 135338076) is (2R)-2-(4-bromophenyl)-2-(prop-2-enylamino)ethanol.
What is the SMILES notation for (2R)-2-(4-bromophenyl)-2-(prop-2-enylamino)ethanol?
The canonical SMILES for (2R)-2-(4-bromophenyl)-2-(prop-2-enylamino)ethanol is C=CCN[C@@H](CO)c1ccc(Br)cc1.
What is the InChIKey of (2R)-2-(4-bromophenyl)-2-(prop-2-enylamino)ethanol?
The InChIKey is LITCIGNFUTYNRM-NSHDSACASA-N. The full InChI is InChI=1S/C11H14BrNO/c1-2-7-13-11(8-14)9-3-5-10(12)6-4-9/h2-6,11,13-14H,1,7-8H2/t11-/m0/s1.
What are the key properties of (2R)-2-(4-bromophenyl)-2-(prop-2-enylamino)ethanol?
(2R)-2-(4-bromophenyl)-2-(prop-2-enylamino)ethanol has a molecular weight of 256.14 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenyl)-2-(prop-2-enylamino)ethanol is sourced from PubChem (CID 135338076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).