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

C14H21N — CID 129266150

IUPAC(1S)-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
SMILESCC(C)C[C@H]1c2ccccc2CCN1C
InChIInChI=1S/C14H21N/c1-11(2)10-14-13-7-5-4-6-12(13)8-9-15(14)3/h4-7,11,14H,8-10H2,1-3H3/t14-/m0/s1
InChIKeyMYXBGEGKEZLDTG-AWEZNQCLSA-N
MW203.33 g/mol
LogP3.26
Rot. Bonds2

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

(1S)-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 129266150) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (1S)-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name(1S)-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
PubChem CID129266150
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(1S)-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
SMILESCC(C)C[C@H]1c2ccccc2CCN1C
InChIInChI=1S/C14H21N/c1-11(2)10-14-13-7-5-4-6-12(13)8-9-15(14)3/h4-7,11,14H,8-10H2,1-3H3/t14-/m0/s1
InChIKeyMYXBGEGKEZLDTG-AWEZNQCLSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of (1S)-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline (CID 129266150) is (1S)-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for (1S)-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for (1S)-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline is CC(C)C[C@H]1c2ccccc2CCN1C.
What is the InChIKey of (1S)-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is MYXBGEGKEZLDTG-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21N/c1-11(2)10-14-13-7-5-4-6-12(13)8-9-15(14)3/h4-7,11,14H,8-10H2,1-3H3/t14-/m0/s1.
What are the key properties of (1S)-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline?
(1S)-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 203.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 129266150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).