6-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline

C14H21N — CID 145125206

IUPAC6-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc2c(c1)CCN(CC(C)C)C2
InChIInChI=1S/C14H21N/c1-11(2)9-15-7-6-13-8-12(3)4-5-14(13)10-15/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyCDDFDXXKWZMUSU-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.01
Rot. Bonds2

About 6-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline

6-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 145125206) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 6-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
PubChem CID145125206
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name6-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc2c(c1)CCN(CC(C)C)C2
InChIInChI=1S/C14H21N/c1-11(2)9-15-7-6-13-8-12(3)4-5-14(13)10-15/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyCDDFDXXKWZMUSU-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-2-propyl-3,4-dihydro-1H-isoquinoline
CID 89043863
2-(hydroxyamino)-N-[(2S)-1-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]acetamide
CID 138652155
N-methyl-2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 142067783
2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 82279778
3-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methyl-1-(2-methylpropyl)-4H-quinazolin-2-one
CID 170395380
7-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline
CID 138537394
4-[2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 59017452
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 39238520
2-[2-chloro-2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline
CID 82214268
5-methyl-2-propyl-1,3-dihydroisoindole
CID 130841289
ethane;2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 171523229
(6R)-2-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]isoquinolin-6-amine
CID 58597284

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline (CID 145125206) is 6-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline is Cc1ccc2c(c1)CCN(CC(C)C)C2.
What is the InChIKey of 6-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is CDDFDXXKWZMUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-11(2)9-15-7-6-13-8-12(3)4-5-14(13)10-15/h4-5,8,11H,6-7,9-10H2,1-3H3.
What are the key properties of 6-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline?
6-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 203.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 145125206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).