(2R,3R)-2-(2-aminophenyl)-3-methylpent-4-en-2-ol

C12H17NO — CID 14939216

IUPAC(2R,3R)-2-(2-aminophenyl)-3-methylpent-4-en-2-ol
SMILESC=C[C@@H](C)[C@@](C)(O)c1ccccc1N
InChIInChI=1S/C12H17NO/c1-4-9(2)12(3,14)10-7-5-6-8-11(10)13/h4-9,14H,1,13H2,2-3H3/t9-,12-/m1/s1
InChIKeyWWIQEZZSONORBC-BXKDBHETSA-N
MW191.27 g/mol
LogP2.30
Rot. Bonds3

About (2R,3R)-2-(2-aminophenyl)-3-methylpent-4-en-2-ol

(2R,3R)-2-(2-aminophenyl)-3-methylpent-4-en-2-ol (PubChem CID 14939216) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2R,3R)-2-(2-aminophenyl)-3-methylpent-4-en-2-ol.

Molecular Properties

Compound Name(2R,3R)-2-(2-aminophenyl)-3-methylpent-4-en-2-ol
PubChem CID14939216
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2R,3R)-2-(2-aminophenyl)-3-methylpent-4-en-2-ol
SMILESC=C[C@@H](C)[C@@](C)(O)c1ccccc1N
InChIInChI=1S/C12H17NO/c1-4-9(2)12(3,14)10-7-5-6-8-11(10)13/h4-9,14H,1,13H2,2-3H3/t9-,12-/m1/s1
InChIKeyWWIQEZZSONORBC-BXKDBHETSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R,3R)-2-hydroxy-3-methylpent-4-en-2-yl]phenol
CID 14939211
3-(2-aminophenyl)-3-methylbutane-2-thiol
CID 115020412
2-tert-butylaniline
CID 159041627
2-(2-aminophenyl)-4,4-difluoro-5-methylhept-6-en-3-ol
CID 67918326
(1R)-1-(2-aminophenyl)-1-phenylethanol
CID 92860842
2-[(1S,2R)-1-hydroxy-2-methyl-1-phenylbut-3-enyl]phenol
CID 11514371
(2R,3R)-2-[dimethyl(phenyl)silyl]-3-methylpent-4-en-2-ol
CID 102406326
1-(2-aminophenyl)propane-1,1-diol
CID 67410259
2-(2-aminophenyl)-2-methylpropanenitrile
CID 59934957
2-[2-[4-[2-(2-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline
CID 18997970
4-(2-aminophenyl)-2-methylpentan-2-ol
CID 155775432
(2R,3S)-2-(6-methoxy-3-pyridinyl)-3-methylpent-4-en-2-ol
CID 166443721

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2-aminophenyl)-3-methylpent-4-en-2-ol?
The IUPAC name of (2R,3R)-2-(2-aminophenyl)-3-methylpent-4-en-2-ol (CID 14939216) is (2R,3R)-2-(2-aminophenyl)-3-methylpent-4-en-2-ol.
What is the SMILES notation for (2R,3R)-2-(2-aminophenyl)-3-methylpent-4-en-2-ol?
The canonical SMILES for (2R,3R)-2-(2-aminophenyl)-3-methylpent-4-en-2-ol is C=C[C@@H](C)[C@@](C)(O)c1ccccc1N.
What is the InChIKey of (2R,3R)-2-(2-aminophenyl)-3-methylpent-4-en-2-ol?
The InChIKey is WWIQEZZSONORBC-BXKDBHETSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-9(2)12(3,14)10-7-5-6-8-11(10)13/h4-9,14H,1,13H2,2-3H3/t9-,12-/m1/s1.
What are the key properties of (2R,3R)-2-(2-aminophenyl)-3-methylpent-4-en-2-ol?
(2R,3R)-2-(2-aminophenyl)-3-methylpent-4-en-2-ol has a molecular weight of 191.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2-aminophenyl)-3-methylpent-4-en-2-ol is sourced from PubChem (CID 14939216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).