3-(2-methylpropyl)-7-phenyl-1,2,3,4-tetrahydroisoquinoline

C19H23N — CID 63489421

IUPAC3-(2-methylpropyl)-7-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)CC1Cc2ccc(-c3ccccc3)cc2CN1
InChIInChI=1S/C19H23N/c1-14(2)10-19-12-17-9-8-16(11-18(17)13-20-19)15-6-4-3-5-7-15/h3-9,11,14,19-20H,10,12-13H2,1-2H3
InChIKeyBVPLBJACYWTSBH-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.41
Rot. Bonds3

About 3-(2-methylpropyl)-7-phenyl-1,2,3,4-tetrahydroisoquinoline

3-(2-methylpropyl)-7-phenyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 63489421) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(2-methylpropyl)-7-phenyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-(2-methylpropyl)-7-phenyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID63489421
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name3-(2-methylpropyl)-7-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)CC1Cc2ccc(-c3ccccc3)cc2CN1
InChIInChI=1S/C19H23N/c1-14(2)10-19-12-17-9-8-16(11-18(17)13-20-19)15-6-4-3-5-7-15/h3-9,11,14,19-20H,10,12-13H2,1-2H3
InChIKeyBVPLBJACYWTSBH-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 59084899
5-phenyl-2,3-dihydro-1H-isoindole
CID 19691969
3-benzyl-7-chloro-1,2,3,4-tetrahydroisoquinoline
CID 62721512
(3S)-3-[2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 67709513
1-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)methanimine
CID 11086653
3-(2-methylpropyl)-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 123461490
5-(difluoromethoxy)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 62786265
7-phenyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 55068608
3-(bromomethyl)-1,2,3,4-tetrahydroisoquinoline
CID 71381550
[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;hydrochloride
CID 156592430
3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 62375759
(7-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol;hydrochloride
CID 91928406

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-7-phenyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-(2-methylpropyl)-7-phenyl-1,2,3,4-tetrahydroisoquinoline (CID 63489421) is 3-(2-methylpropyl)-7-phenyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-(2-methylpropyl)-7-phenyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-(2-methylpropyl)-7-phenyl-1,2,3,4-tetrahydroisoquinoline is CC(C)CC1Cc2ccc(-c3ccccc3)cc2CN1.
What is the InChIKey of 3-(2-methylpropyl)-7-phenyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is BVPLBJACYWTSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-14(2)10-19-12-17-9-8-16(11-18(17)13-20-19)15-6-4-3-5-7-15/h3-9,11,14,19-20H,10,12-13H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-7-phenyl-1,2,3,4-tetrahydroisoquinoline?
3-(2-methylpropyl)-7-phenyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 265.40 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-7-phenyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 63489421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).