(2-cyclopropylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol

C19H21NO — CID 79970709

IUPAC(2-cyclopropylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol
SMILESOC(c1ccccc1C1CC1)C1CCc2ccccc2N1
InChIInChI=1S/C19H21NO/c21-19(16-7-3-2-6-15(16)13-9-10-13)18-12-11-14-5-1-4-8-17(14)20-18/h1-8,13,18-21H,9-12H2
InChIKeyLVLIQRMFYLRUGQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.02
Rot. Bonds3

About (2-cyclopropylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol

(2-cyclopropylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol (PubChem CID 79970709) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (2-cyclopropylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol.

Molecular Properties

Compound Name(2-cyclopropylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol
PubChem CID79970709
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(2-cyclopropylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol
SMILESOC(c1ccccc1C1CC1)C1CCc2ccccc2N1
InChIInChI=1S/C19H21NO/c21-19(16-7-3-2-6-15(16)13-9-10-13)18-12-11-14-5-1-4-8-17(14)20-18/h1-8,13,18-21H,9-12H2
InChIKeyLVLIQRMFYLRUGQ-UHFFFAOYSA-N
XLogP4.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol?
The IUPAC name of (2-cyclopropylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol (CID 79970709) is (2-cyclopropylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol.
What is the SMILES notation for (2-cyclopropylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol?
The canonical SMILES for (2-cyclopropylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol is OC(c1ccccc1C1CC1)C1CCc2ccccc2N1.
What is the InChIKey of (2-cyclopropylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol?
The InChIKey is LVLIQRMFYLRUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c21-19(16-7-3-2-6-15(16)13-9-10-13)18-12-11-14-5-1-4-8-17(14)20-18/h1-8,13,18-21H,9-12H2.
What are the key properties of (2-cyclopropylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol?
(2-cyclopropylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol has a molecular weight of 279.38 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylphenyl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol is sourced from PubChem (CID 79970709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).