2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol

C18H27NO — CID 62608826

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(CN2CCc3ccccc3C2)C1
InChIInChI=1S/C18H27NO/c1-2-14-7-8-18(20)17(11-14)13-19-10-9-15-5-3-4-6-16(15)12-19/h3-6,14,17-18,20H,2,7-13H2,1H3
InChIKeySIKDXZNFNKIMSH-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.23
Rot. Bonds3

About 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol

2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol (PubChem CID 62608826) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol
PubChem CID62608826
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(CN2CCc3ccccc3C2)C1
InChIInChI=1S/C18H27NO/c1-2-14-7-8-18(20)17(11-14)13-19-10-9-15-5-3-4-6-16(15)12-19/h3-6,14,17-18,20H,2,7-13H2,1H3
InChIKeySIKDXZNFNKIMSH-UHFFFAOYSA-N
XLogP3.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2S)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopropyl]methanamine
CID 99109813
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine
CID 60850529
4-ethyl-2-[(4-propylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 62611300
4-ethyl-2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 63619575
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-ethylcyclohexan-1-ol
CID 79422811
2-[(2-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 106740844
3-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-ol
CID 103061636
4-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexan-1-ol
CID 62608999
bis((E)-but-2-enedioic acid);2-[(1-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 14405660
6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 79853349
4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
CID 62611262
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methylcyclohexan-1-one
CID 55094446

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol (CID 62608826) is 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol is CCC1CCC(O)C(CN2CCc3ccccc3C2)C1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol?
The InChIKey is SIKDXZNFNKIMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-14-7-8-18(20)17(11-14)13-19-10-9-15-5-3-4-6-16(15)12-19/h3-6,14,17-18,20H,2,7-13H2,1H3.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol?
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 62608826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).