[(1S,3S)-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol

C17H19NO — CID 168286816

IUPAC[(1S,3S)-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
SMILESCC1=CC2=C(C[C@H](N[C@H]2C3=CC=CC=C3)CO)C=C1
InChIInChI=1S/C17H19NO/c1-12-7-8-14-10-15(11-19)18-17(16(14)9-12)13-5-3-2-4-6-13/h2-9,15,17-19H,10-11H2,1H3/t15-,17-/m0/s1
InChIKeyPICDHQHUINMQCV-RDJZCZTQSA-N
MW253.34 g/mol
LogP2.80
Rot. Bonds2

About [(1S,3S)-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol

[(1S,3S)-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol (PubChem CID 168286816) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is [(1S,3S)-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol.

Molecular Properties

Compound Name[(1S,3S)-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
PubChem CID168286816
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name[(1S,3S)-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
SMILESCC1=CC2=C(C[C@H](N[C@H]2C3=CC=CC=C3)CO)C=C1
InChIInChI=1S/C17H19NO/c1-12-7-8-14-10-15(11-19)18-17(16(14)9-12)13-5-3-2-4-6-13/h2-9,15,17-19H,10-11H2,1H3/t15-,17-/m0/s1
InChIKeyPICDHQHUINMQCV-RDJZCZTQSA-N
XLogP2.80
TPSA32.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity287

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 723422
(1,2,3,4-Tetrahydro-isoquinolin-3-yl)-methanol
CID 3752277
3-Methoxymethyl-1,2,3,4-tetrahydro-isoquinoline
CID 10797392
(R)-3-Phenyl-2-(benzylamino)-1-propanol
CID 10900780
[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 776757
2-(16-Azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yl)ethanol
CID 13192730
1,2,3,4-Tetrahydroisoquinolin-1-ylmethanol
CID 51358587
1-(1-Methyl-1,2,3,4-tetrahydroisoquinolyl)cyclohexan-1-ol
CID 3983838
3-Phenyl-2-{[2-(trifluoromethyl)benzyl]amino}-1-propanol
CID 15944997
1-(methylamino)-3-(5-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 155516447
[(1S,3S)-7-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 168278103
[(1S,3S)-7-chloro-1-(4-chloro-3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 168279865

Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol?
The IUPAC name of [(1S,3S)-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol (CID 168286816) is [(1S,3S)-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol.
What is the SMILES notation for [(1S,3S)-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol?
The canonical SMILES for [(1S,3S)-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol is CC1=CC2=C(C[C@H](N[C@H]2C3=CC=CC=C3)CO)C=C1.
What is the InChIKey of [(1S,3S)-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol?
The InChIKey is PICDHQHUINMQCV-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-7-8-14-10-15(11-19)18-17(16(14)9-12)13-5-3-2-4-6-13/h2-9,15,17-19H,10-11H2,1H3/t15-,17-/m0/s1.
What are the key properties of [(1S,3S)-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol?
[(1S,3S)-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol has a molecular weight of 253.34 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol is sourced from PubChem (CID 168286816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).