3-[(1R)-1-amino-2-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol

C15H19NO — CID 141425095

IUPAC3-[(1R)-1-amino-2-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol
SMILESN[C@]1(CCCO)CC=CC=C1c1ccccc1
InChIInChI=1S/C15H19NO/c16-15(11-6-12-17)10-5-4-9-14(15)13-7-2-1-3-8-13/h1-5,7-9,17H,6,10-12,16H2/t15-/m0/s1
InChIKeySQQRKDIYVUHXAD-HNNXBMFYSA-N
MW229.32 g/mol
LogP2.50
Rot. Bonds4

About 3-[(1R)-1-amino-2-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol

3-[(1R)-1-amino-2-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol (PubChem CID 141425095) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-[(1R)-1-amino-2-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(1R)-1-amino-2-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol
PubChem CID141425095
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-[(1R)-1-amino-2-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol
SMILESN[C@]1(CCCO)CC=CC=C1c1ccccc1
InChIInChI=1S/C15H19NO/c16-15(11-6-12-17)10-5-4-9-14(15)13-7-2-1-3-8-13/h1-5,7-9,17H,6,10-12,16H2/t15-/m0/s1
InChIKeySQQRKDIYVUHXAD-HNNXBMFYSA-N
XLogP2.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-amino-2-(3-aminophenyl)cyclohexa-2,4-dien-1-yl]methanol
CID 68786620
N-[(1R)-1-(3-hydroxypropyl)-2-phenylcyclohexa-2,4-dien-1-yl]acetamide
CID 141425096
1-iodo-2-phenylcyclohexa-2,4-dien-1-amine
CID 175287153
1,2-diphenylcyclohexa-2,4-dien-1-amine
CID 141027674
18-[1-(17-carboxyheptadec-9-enyl)-2-phenylcyclohexa-2,4-dien-1-yl]octadec-9-enoic acid
CID 159635188
1-(methylamino)-2-phenylcyclohexa-2,4-dien-1-ol
CID 175545397
2-(1-hydroxy-2-phenylcyclohexa-2,4-dien-1-yl)phenol
CID 70208336
2-phenyl-1-prop-1-en-2-ylcyclohexa-2,4-dien-1-ol
CID 175574219
ethyl (1-hydroxy-2-phenylcyclohexa-2,4-dien-1-yl) carbonate
CID 174779093
(1-methoxy-2-phenylcyclohexa-2,4-dien-1-yl)boronic acid
CID 68649281
1-methoxy-2-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 70161917
1-methyl-2-phenylcyclohexa-2,4-diene-1-carbaldehyde
CID 71317478

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-amino-2-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol?
The IUPAC name of 3-[(1R)-1-amino-2-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol (CID 141425095) is 3-[(1R)-1-amino-2-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol.
What is the SMILES notation for 3-[(1R)-1-amino-2-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol?
The canonical SMILES for 3-[(1R)-1-amino-2-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol is N[C@]1(CCCO)CC=CC=C1c1ccccc1.
What is the InChIKey of 3-[(1R)-1-amino-2-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol?
The InChIKey is SQQRKDIYVUHXAD-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19NO/c16-15(11-6-12-17)10-5-4-9-14(15)13-7-2-1-3-8-13/h1-5,7-9,17H,6,10-12,16H2/t15-/m0/s1.
What are the key properties of 3-[(1R)-1-amino-2-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol?
3-[(1R)-1-amino-2-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol has a molecular weight of 229.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-amino-2-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol is sourced from PubChem (CID 141425095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).