1-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclopentan-1-ol

C15H21NO — CID 11172302

IUPAC1-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclopentan-1-ol
SMILESCN1CCc2ccccc2C1C1(O)CCCC1
InChIInChI=1S/C15H21NO/c1-16-11-8-12-6-2-3-7-13(12)14(16)15(17)9-4-5-10-15/h2-3,6-7,14,17H,4-5,8-11H2,1H3
InChIKeyRCXNCHGQBTWYML-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.52
Rot. Bonds1

About 1-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclopentan-1-ol

1-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclopentan-1-ol (PubChem CID 11172302) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclopentan-1-ol
PubChem CID11172302
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclopentan-1-ol
SMILESCN1CCc2ccccc2C1C1(O)CCCC1
InChIInChI=1S/C15H21NO/c1-16-11-8-12-6-2-3-7-13(12)14(16)15(17)9-4-5-10-15/h2-3,6-7,14,17H,4-5,8-11H2,1H3
InChIKeyRCXNCHGQBTWYML-UHFFFAOYSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)oxetane-3-carboxylic acid
CID 116995626
2-methyl-3,4-dihydro-1H-isoquinoline-1-thiol
CID 116995589
3-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)oxetane-3-carbonitrile
CID 116995625
2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 116995645
(5S)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-amine
CID 141299186
(1S)-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 129266150
2-methyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 23568852
(1R)-2-hydroxy-1-methyl-3,4-dihydro-1H-isoquinoline
CID 14951933
(1S,2R)-2-ethyl-3,4-dihydro-1H-naphthalene-1,2-diol
CID 22216149
N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]acetamide
CID 21030190
1-(furan-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 15056816
2-methyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propanenitrile
CID 116995595

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclopentan-1-ol?
The IUPAC name of 1-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclopentan-1-ol (CID 11172302) is 1-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclopentan-1-ol.
What is the SMILES notation for 1-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclopentan-1-ol?
The canonical SMILES for 1-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclopentan-1-ol is CN1CCc2ccccc2C1C1(O)CCCC1.
What is the InChIKey of 1-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclopentan-1-ol?
The InChIKey is RCXNCHGQBTWYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-16-11-8-12-6-2-3-7-13(12)14(16)15(17)9-4-5-10-15/h2-3,6-7,14,17H,4-5,8-11H2,1H3.
What are the key properties of 1-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclopentan-1-ol?
1-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclopentan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 11172302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).