(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine

C15H24N2 — CID 82128928

IUPAC(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine
SMILESCN1Cc2cc(C(C)(C)C)ccc2C(CN)C1
InChIInChI=1S/C15H24N2/c1-15(2,3)13-5-6-14-11(7-13)9-17(4)10-12(14)8-16/h5-7,12H,8-10,16H2,1-4H3
InChIKeyRWKLQFCWSRCTEA-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.47
Rot. Bonds1

About (7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine

(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine (PubChem CID 82128928) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine.

Molecular Properties

Compound Name(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine
PubChem CID82128928
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine
SMILESCN1Cc2cc(C(C)(C)C)ccc2C(CN)C1
InChIInChI=1S/C15H24N2/c1-15(2,3)13-5-6-14-11(7-13)9-17(4)10-12(14)8-16/h5-7,12H,8-10,16H2,1-4H3
InChIKeyRWKLQFCWSRCTEA-UHFFFAOYSA-N
XLogP2.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[7-tert-butyl-2-methyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584814
2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol
CID 138554110
2-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]propan-2-amine
CID 69000880
2-[1-(aminomethyl)-6-tert-butyl-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine
CID 82544662
3-tert-butyl-7-methylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 157184416
2-[4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N,N-dimethylpropan-2-amine
CID 68994368
(3aS)-8-tert-butyl-2-methylspiro[3,3a,5,6-tetrahydro-1H-benzo[de]isoquinoline-4,1'-cyclopropane]
CID 171605723
10-tert-butyl-6-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene
CID 171606142
(6-fluoro-1-methyl-2,3-dihydroindol-3-yl)methanamine
CID 82277185
1-(aminomethyl)-7-tert-butyl-N,2-dimethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-4-amine
CID 134126463
3-methyl-6-(2,4,4-trimethylpentan-2-yl)-2,4-dihydro-1,3-benzoxazine
CID 100999113
7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol;hydrochloride
CID 162061488

Frequently Asked Questions

What is the IUPAC name of (7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine?
The IUPAC name of (7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine (CID 82128928) is (7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine.
What is the SMILES notation for (7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine?
The canonical SMILES for (7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine is CN1Cc2cc(C(C)(C)C)ccc2C(CN)C1.
What is the InChIKey of (7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine?
The InChIKey is RWKLQFCWSRCTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-15(2,3)13-5-6-14-11(7-13)9-17(4)10-12(14)8-16/h5-7,12H,8-10,16H2,1-4H3.
What are the key properties of (7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine?
(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine has a molecular weight of 232.37 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine is sourced from PubChem (CID 82128928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).