5-chloro-2-(2-methylpropyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline

C16H24ClN — CID 166553077

IUPAC5-chloro-2-(2-methylpropyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCC(C)CN1CCc2c(Cl)cc(C(C)C)cc2C1
InChIInChI=1S/C16H24ClN/c1-11(2)9-18-6-5-15-14(10-18)7-13(12(3)4)8-16(15)17/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyPFVADSHPJCMWDW-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.48
Rot. Bonds3

About 5-chloro-2-(2-methylpropyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline

5-chloro-2-(2-methylpropyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 166553077) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 5-chloro-2-(2-methylpropyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name5-chloro-2-(2-methylpropyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline
PubChem CID166553077
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name5-chloro-2-(2-methylpropyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCC(C)CN1CCc2c(Cl)cc(C(C)C)cc2C1
InChIInChI=1S/C16H24ClN/c1-11(2)9-18-6-5-15-14(10-18)7-13(12(3)4)8-16(15)17/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyPFVADSHPJCMWDW-UHFFFAOYSA-N
XLogP4.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5,7-dichloro-2-ethyl-3,4-dihydro-1H-isoquinoline
CID 58157202
6-chloro-3,3-dimethyl-2,8-di(propan-2-yl)-4,5-dihydro-1H-2-benzazepine
CID 166552959
9-cyclopropyl-4-(2-methylpropyl)-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 171608240
6-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 145125206
2-benzyl-5,7-dichloro-3,4-dihydro-1H-isoquinoline
CID 90487760
7-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline
CID 171523202
2-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110457058
7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline
CID 157149924
2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82582032
1-(7-chloro-2,3-dihydro-1H-inden-5-yl)ethanol
CID 84667304
(1R)-1-(7-chloro-2,3-dihydro-1H-inden-5-yl)ethanamine
CID 130682579
CID 176977069
CID 176977069

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methylpropyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 5-chloro-2-(2-methylpropyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline (CID 166553077) is 5-chloro-2-(2-methylpropyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 5-chloro-2-(2-methylpropyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 5-chloro-2-(2-methylpropyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline is CC(C)CN1CCc2c(Cl)cc(C(C)C)cc2C1.
What is the InChIKey of 5-chloro-2-(2-methylpropyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is PFVADSHPJCMWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-11(2)9-18-6-5-15-14(10-18)7-13(12(3)4)8-16(15)17/h7-8,11-12H,5-6,9-10H2,1-4H3.
What are the key properties of 5-chloro-2-(2-methylpropyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline?
5-chloro-2-(2-methylpropyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 265.83 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-methylpropyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 166553077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).