N-(3-methyl-4-propan-2-ylphenyl)isoquinolin-7-amine

C19H20N2 — CID 91217770

IUPACN-(3-methyl-4-propan-2-ylphenyl)isoquinolin-7-amine
SMILESCc1cc(Nc2ccc3ccncc3c2)ccc1C(C)C
InChIInChI=1S/C19H20N2/c1-13(2)19-7-6-17(10-14(19)3)21-18-5-4-15-8-9-20-12-16(15)11-18/h4-13,21H,1-3H3
InChIKeyJRHMYFNGQFEMBP-UHFFFAOYSA-N
MW276.38 g/mol
LogP5.41
Rot. Bonds3

About N-(3-methyl-4-propan-2-ylphenyl)isoquinolin-7-amine

N-(3-methyl-4-propan-2-ylphenyl)isoquinolin-7-amine (PubChem CID 91217770) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(3-methyl-4-propan-2-ylphenyl)isoquinolin-7-amine.

Molecular Properties

Compound NameN-(3-methyl-4-propan-2-ylphenyl)isoquinolin-7-amine
PubChem CID91217770
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC NameN-(3-methyl-4-propan-2-ylphenyl)isoquinolin-7-amine
SMILESCc1cc(Nc2ccc3ccncc3c2)ccc1C(C)C
InChIInChI=1S/C19H20N2/c1-13(2)19-7-6-17(10-14(19)3)21-18-5-4-15-8-9-20-12-16(15)11-18/h4-13,21H,1-3H3
InChIKeyJRHMYFNGQFEMBP-UHFFFAOYSA-N
XLogP5.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-methyl-3-pyridinyl)isoquinolin-7-amine
CID 160767856
N-(4-iodo-5-methyl-2-pyridinyl)isoquinolin-7-amine
CID 177055978
(2R)-2-amino-N-isoquinolin-7-ylpropanamide
CID 143835727
2-(3-methyl-4-propan-2-ylanilino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136779252
N-isoquinolin-6-yl-1,3,4-thiadiazol-2-amine
CID 90713193
3-methyl-N-pentan-3-yl-4-propan-2-ylaniline
CID 20563831
6-methyl-7-propan-2-yloxyisoquinoline
CID 169212807
ethane;N-(4-ethyl-5-methyl-2-pyridinyl)isoquinolin-6-amine
CID 171557532
ethyl 2-(isoquinolin-7-ylamino)-2-oxoacetate
CID 58603917
N-(1,3-benzodioxol-5-yl)isoquinolin-6-amine
CID 82582591
N-(3,4-dimethylphenyl)pyridin-3-amine
CID 82537517
7-(4-chloro-2-propan-2-ylphenyl)isoquinoline
CID 121262909

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-propan-2-ylphenyl)isoquinolin-7-amine?
The IUPAC name of N-(3-methyl-4-propan-2-ylphenyl)isoquinolin-7-amine (CID 91217770) is N-(3-methyl-4-propan-2-ylphenyl)isoquinolin-7-amine.
What is the SMILES notation for N-(3-methyl-4-propan-2-ylphenyl)isoquinolin-7-amine?
The canonical SMILES for N-(3-methyl-4-propan-2-ylphenyl)isoquinolin-7-amine is Cc1cc(Nc2ccc3ccncc3c2)ccc1C(C)C.
What is the InChIKey of N-(3-methyl-4-propan-2-ylphenyl)isoquinolin-7-amine?
The InChIKey is JRHMYFNGQFEMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-13(2)19-7-6-17(10-14(19)3)21-18-5-4-15-8-9-20-12-16(15)11-18/h4-13,21H,1-3H3.
What are the key properties of N-(3-methyl-4-propan-2-ylphenyl)isoquinolin-7-amine?
N-(3-methyl-4-propan-2-ylphenyl)isoquinolin-7-amine has a molecular weight of 276.38 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-propan-2-ylphenyl)isoquinolin-7-amine is sourced from PubChem (CID 91217770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).