(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)methanamine

C12H18N2 — CID 82581532

IUPAC(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)methanamine
SMILESCCN1CCc2c(CN)cccc2C1
InChIInChI=1S/C12H18N2/c1-2-14-7-6-12-10(8-13)4-3-5-11(12)9-14/h3-5H,2,6-9,13H2,1H3
InChIKeyGYHVMXNZJPWFKP-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.52
Rot. Bonds2

About (2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)methanamine

(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)methanamine (PubChem CID 82581532) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)methanamine.

Molecular Properties

Compound Name(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)methanamine
PubChem CID82581532
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)methanamine
SMILESCCN1CCc2c(CN)cccc2C1
InChIInChI=1S/C12H18N2/c1-2-14-7-6-12-10(8-13)4-3-5-11(12)9-14/h3-5H,2,6-9,13H2,1H3
InChIKeyGYHVMXNZJPWFKP-UHFFFAOYSA-N
XLogP1.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-5-propyl-3,4-dihydro-1H-isoquinoline
CID 143173694
ethane;2-ethyl-5-methyl-3,4-dihydro-1H-isoquinoline
CID 162382873
2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline
CID 58157151
[2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]methanamine
CID 82581546
ethane;2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline
CID 143140351
(6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methanamine
CID 82505660
1-(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-2-one
CID 84785583
2-(2-methylidenebutyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 66046703
5-ethyl-2-[2-(furan-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline
CID 143173552
2-benzyl-5-(4-ethylpiperazin-1-yl)-3,4-dihydro-1H-isoquinoline
CID 154455310
3-[8-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propane-1,2-diol
CID 82581564
[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methanamine
CID 145042907

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)methanamine?
The IUPAC name of (2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)methanamine (CID 82581532) is (2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)methanamine.
What is the SMILES notation for (2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)methanamine?
The canonical SMILES for (2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)methanamine is CCN1CCc2c(CN)cccc2C1.
What is the InChIKey of (2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)methanamine?
The InChIKey is GYHVMXNZJPWFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-14-7-6-12-10(8-13)4-3-5-11(12)9-14/h3-5H,2,6-9,13H2,1H3.
What are the key properties of (2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)methanamine?
(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)methanamine has a molecular weight of 190.29 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)methanamine is sourced from PubChem (CID 82581532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).