1-phenyl-1,2,3,4-tetrahydroisoquinoline carbamate

C16H17N2O2- — CID 22358994

IUPAC1-phenyl-1,2,3,4-tetrahydroisoquinoline carbamate
SMILESNC(=O)[O-].c1ccc(C2NCCc3ccccc32)cc1
InChIInChI=1S/C15H15N.CH3NO2/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;2-1(3)4/h1-9,15-16H,10-11H2;2H2,(H,3,4)/p-1
InChIKeyBWMXJZOODIAPDM-UHFFFAOYSA-M
MW269.32 g/mol
LogP1.21
Rot. Bonds1

About 1-phenyl-1,2,3,4-tetrahydroisoquinoline carbamate

1-phenyl-1,2,3,4-tetrahydroisoquinoline carbamate (PubChem CID 22358994) has the molecular formula C16H17N2O2- and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-phenyl-1,2,3,4-tetrahydroisoquinoline carbamate.

Molecular Properties

Compound Name1-phenyl-1,2,3,4-tetrahydroisoquinoline carbamate
PubChem CID22358994
Molecular FormulaC16H17N2O2-
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name1-phenyl-1,2,3,4-tetrahydroisoquinoline carbamate
SMILESNC(=O)[O-].c1ccc(C2NCCc3ccccc32)cc1
InChIInChI=1S/C15H15N.CH3NO2/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;2-1(3)4/h1-9,15-16H,10-11H2;2H2,(H,3,4)/p-1
InChIKeyBWMXJZOODIAPDM-UHFFFAOYSA-M
XLogP1.21
TPSA78.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1,2,3,4-tetrahydroisoquinolin-1-yl)phenyl]ethanone
CID 57224737
sodium (1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 122531352
1,2,3,4-tetrahydroisoquinoline-1-carboxamide;dihydrochloride
CID 173135216
argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 160886017
(1R)-N,N-dimethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 170646570
(1S)-6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 96956787
2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid
CID 2733683
(1S)-6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 42054854
(2S,3S)-2,3-dihydroxybutanedioic acid;(1R)-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 86753649
(1S)-1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 42054648
(1S)-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 7010656
(Z)-but-2-enedioic acid;1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 172701056

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1,2,3,4-tetrahydroisoquinoline carbamate?
The IUPAC name of 1-phenyl-1,2,3,4-tetrahydroisoquinoline carbamate (CID 22358994) is 1-phenyl-1,2,3,4-tetrahydroisoquinoline carbamate.
What is the SMILES notation for 1-phenyl-1,2,3,4-tetrahydroisoquinoline carbamate?
The canonical SMILES for 1-phenyl-1,2,3,4-tetrahydroisoquinoline carbamate is NC(=O)[O-].c1ccc(C2NCCc3ccccc32)cc1.
What is the InChIKey of 1-phenyl-1,2,3,4-tetrahydroisoquinoline carbamate?
The InChIKey is BWMXJZOODIAPDM-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15N.CH3NO2/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;2-1(3)4/h1-9,15-16H,10-11H2;2H2,(H,3,4)/p-1.
What are the key properties of 1-phenyl-1,2,3,4-tetrahydroisoquinoline carbamate?
1-phenyl-1,2,3,4-tetrahydroisoquinoline carbamate has a molecular weight of 269.32 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1,2,3,4-tetrahydroisoquinoline carbamate is sourced from PubChem (CID 22358994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).