2-amino-1-cyclohexa-2,4-dien-1-yl-2-phenylethanol

C14H17NO — CID 146244066

IUPAC2-amino-1-cyclohexa-2,4-dien-1-yl-2-phenylethanol
SMILESNC(c1ccccc1)C(O)C1C=CC=CC1
InChIInChI=1S/C14H17NO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-9,12-14,16H,10,15H2
InChIKeyZVDDXKZTCNRPKH-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.18
Rot. Bonds3

About 2-amino-1-cyclohexa-2,4-dien-1-yl-2-phenylethanol

2-amino-1-cyclohexa-2,4-dien-1-yl-2-phenylethanol (PubChem CID 146244066) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-amino-1-cyclohexa-2,4-dien-1-yl-2-phenylethanol.

Molecular Properties

Compound Name2-amino-1-cyclohexa-2,4-dien-1-yl-2-phenylethanol
PubChem CID146244066
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-amino-1-cyclohexa-2,4-dien-1-yl-2-phenylethanol
SMILESNC(c1ccccc1)C(O)C1C=CC=CC1
InChIInChI=1S/C14H17NO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-9,12-14,16H,10,15H2
InChIKeyZVDDXKZTCNRPKH-UHFFFAOYSA-N
XLogP2.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[cyclohexa-2,4-dien-1-yl(iodo)methyl]benzene
CID 89349773
2-cyclohexa-2,4-dien-1-yl-2-phenylacetonitrile
CID 67965946
2-amino-1-cyclopropyl-2-phenylethanol
CID 62720038
[cyclohexa-2,4-dien-1-yl(phenyl)methyl] carbamimidothioate
CID 143471413
(1S,2R)-2-amino-1,2-diphenylethanol
CID 719822
(1R,2S)-2-(15N)azanyl-1,2-diphenylethanol
CID 11745978
(1R,2R)-2-amino-1,2-diphenylethanol;hydrochloride
CID 145453159
(1-cyclohexa-2,4-dien-1-yl-2-methoxybutyl)benzene
CID 123292616
(R)-[(1S)-cyclohexa-2,4-dien-1-yl]-(4-methoxyphenyl)methanol
CID 102082183
(5R)-5-propan-2-ylcyclohexa-1,3-diene
CID 134896176
1,2-diphenylethane-1,2-diol
CID 159073808
cyclohexa-2,4-dien-1-yloxy(phenoxy)methanol
CID 135271530

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cyclohexa-2,4-dien-1-yl-2-phenylethanol?
The IUPAC name of 2-amino-1-cyclohexa-2,4-dien-1-yl-2-phenylethanol (CID 146244066) is 2-amino-1-cyclohexa-2,4-dien-1-yl-2-phenylethanol.
What is the SMILES notation for 2-amino-1-cyclohexa-2,4-dien-1-yl-2-phenylethanol?
The canonical SMILES for 2-amino-1-cyclohexa-2,4-dien-1-yl-2-phenylethanol is NC(c1ccccc1)C(O)C1C=CC=CC1.
What is the InChIKey of 2-amino-1-cyclohexa-2,4-dien-1-yl-2-phenylethanol?
The InChIKey is ZVDDXKZTCNRPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-9,12-14,16H,10,15H2.
What are the key properties of 2-amino-1-cyclohexa-2,4-dien-1-yl-2-phenylethanol?
2-amino-1-cyclohexa-2,4-dien-1-yl-2-phenylethanol has a molecular weight of 215.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cyclohexa-2,4-dien-1-yl-2-phenylethanol is sourced from PubChem (CID 146244066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).