4-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

C19H21NO — CID 114522674

IUPAC4-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc(CC2CNCc3ccccc32)cc(OC2CC2)c1
InChIInChI=1S/C19H21NO/c1-2-7-19-15(5-1)12-20-13-16(19)10-14-4-3-6-18(11-14)21-17-8-9-17/h1-7,11,16-17,20H,8-10,12-13H2
InChIKeyFQIOLDQXSVLXRY-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.66
Rot. Bonds4

About 4-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

4-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 114522674) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID114522674
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name4-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc(CC2CNCc3ccccc32)cc(OC2CC2)c1
InChIInChI=1S/C19H21NO/c1-2-7-19-15(5-1)12-20-13-16(19)10-14-4-3-6-18(11-14)21-17-8-9-17/h1-7,11,16-17,20H,8-10,12-13H2
InChIKeyFQIOLDQXSVLXRY-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3,4-difluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104505023
3-[(3-cyclopropyloxyphenyl)methyl]pyrrolidine
CID 84785505
4-[(4-ethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104505031
4-(phenoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104294
4-[(3-bromophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104305
(3-cyclopropyloxyphenyl)methanol
CID 57336629
4-(3-ethylphenoxy)piperidine;hydrochloride
CID 46735688
4-[(2,5-difluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104504996
1-methyl-4-[3-(piperidin-3-ylmethyl)phenoxy]piperidine
CID 117466208
(3S)-3-(3-ethylphenoxy)pyrrolidine
CID 26192115
3-(3-ethylphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314321
4-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 106779335

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 114522674) is 4-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline is c1cc(CC2CNCc3ccccc32)cc(OC2CC2)c1.
What is the InChIKey of 4-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is FQIOLDQXSVLXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-2-7-19-15(5-1)12-20-13-16(19)10-14-4-3-6-18(11-14)21-17-8-9-17/h1-7,11,16-17,20H,8-10,12-13H2.
What are the key properties of 4-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
4-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 279.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 114522674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).