3-[(1R)-6-amino-1-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol

C15H19NO — CID 172683358

IUPAC3-[(1R)-6-amino-1-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol
SMILESNC1C=CC=C[C@]1(CCCO)c1ccccc1
InChIInChI=1S/C15H19NO/c16-14-9-4-5-10-15(14,11-6-12-17)13-7-2-1-3-8-13/h1-5,7-10,14,17H,6,11-12,16H2/t14?,15-/m0/s1
InChIKeyARXXLTAERQJMMP-LOACHALJSA-N
MW229.32 g/mol
LogP2.15
Rot. Bonds4

About 3-[(1R)-6-amino-1-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol

3-[(1R)-6-amino-1-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol (PubChem CID 172683358) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-[(1R)-6-amino-1-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(1R)-6-amino-1-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol
PubChem CID172683358
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-[(1R)-6-amino-1-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol
SMILESNC1C=CC=C[C@]1(CCCO)c1ccccc1
InChIInChI=1S/C15H19NO/c16-14-9-4-5-10-15(14,11-6-12-17)13-7-2-1-3-8-13/h1-5,7-10,14,17H,6,11-12,16H2/t14?,15-/m0/s1
InChIKeyARXXLTAERQJMMP-LOACHALJSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

phenylalaninol, (S)-
CID 447213
DL-Phenylalaninol
CID 76652
phenylalaninol, (R)-
CID 853475
Benzenepentanol, delta-amino-
CID 99992
2-Amino-2-phenylethanol
CID 92466
(R)-beta-aminophenethyl alcohol
CID 2724025
1-Propanol, 3-amino-3-phenyl-
CID 203500
3-Amino-2,2-dimethyl-3-phenylpropan-1-ol
CID 10103748
2-Amino-2-phenylethan-1-ol
CID 134797
3(S)-Amino-4-phenyl-butan-2(S)-OL
CID 13949633
2-Amino-4-(4-octylphenyl)butan-1-ol
CID 10064206
(2R)-2-amino-4-(4-octylphenyl)butan-1-ol
CID 11608833

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-6-amino-1-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol?
The IUPAC name of 3-[(1R)-6-amino-1-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol (CID 172683358) is 3-[(1R)-6-amino-1-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol.
What is the SMILES notation for 3-[(1R)-6-amino-1-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol?
The canonical SMILES for 3-[(1R)-6-amino-1-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol is NC1C=CC=C[C@]1(CCCO)c1ccccc1.
What is the InChIKey of 3-[(1R)-6-amino-1-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol?
The InChIKey is ARXXLTAERQJMMP-LOACHALJSA-N. The full InChI is InChI=1S/C15H19NO/c16-14-9-4-5-10-15(14,11-6-12-17)13-7-2-1-3-8-13/h1-5,7-10,14,17H,6,11-12,16H2/t14?,15-/m0/s1.
What are the key properties of 3-[(1R)-6-amino-1-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol?
3-[(1R)-6-amino-1-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol has a molecular weight of 229.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-6-amino-1-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol is sourced from PubChem (CID 172683358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).