2-methyl-1-(7-methylisoquinolin-5-yl)propan-2-amine

C14H18N2 — CID 82577181

IUPAC2-methyl-1-(7-methylisoquinolin-5-yl)propan-2-amine
SMILESCc1cc(CC(C)(C)N)c2ccncc2c1
InChIInChI=1S/C14H18N2/c1-10-6-11(8-14(2,3)15)13-4-5-16-9-12(13)7-10/h4-7,9H,8,15H2,1-3H3
InChIKeyVWEJAWSUIBKLJX-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.82
Rot. Bonds2

About 2-methyl-1-(7-methylisoquinolin-5-yl)propan-2-amine

2-methyl-1-(7-methylisoquinolin-5-yl)propan-2-amine (PubChem CID 82577181) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-methyl-1-(7-methylisoquinolin-5-yl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(7-methylisoquinolin-5-yl)propan-2-amine
PubChem CID82577181
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-methyl-1-(7-methylisoquinolin-5-yl)propan-2-amine
SMILESCc1cc(CC(C)(C)N)c2ccncc2c1
InChIInChI=1S/C14H18N2/c1-10-6-11(8-14(2,3)15)13-4-5-16-9-12(13)7-10/h4-7,9H,8,15H2,1-3H3
InChIKeyVWEJAWSUIBKLJX-UHFFFAOYSA-N
XLogP2.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(7-methylisoquinolin-5-yl)propan-2-amine?
The IUPAC name of 2-methyl-1-(7-methylisoquinolin-5-yl)propan-2-amine (CID 82577181) is 2-methyl-1-(7-methylisoquinolin-5-yl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(7-methylisoquinolin-5-yl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(7-methylisoquinolin-5-yl)propan-2-amine is Cc1cc(CC(C)(C)N)c2ccncc2c1.
What is the InChIKey of 2-methyl-1-(7-methylisoquinolin-5-yl)propan-2-amine?
The InChIKey is VWEJAWSUIBKLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10-6-11(8-14(2,3)15)13-4-5-16-9-12(13)7-10/h4-7,9H,8,15H2,1-3H3.
What are the key properties of 2-methyl-1-(7-methylisoquinolin-5-yl)propan-2-amine?
2-methyl-1-(7-methylisoquinolin-5-yl)propan-2-amine has a molecular weight of 214.31 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(7-methylisoquinolin-5-yl)propan-2-amine is sourced from PubChem (CID 82577181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).