N-(cyclopropylmethyl)-7-(5-fluoro-2-methylphenyl)isoquinolin-3-amine

C20H19FN2 — CID 67974709

IUPACN-(cyclopropylmethyl)-7-(5-fluoro-2-methylphenyl)isoquinolin-3-amine
SMILESCc1ccc(F)cc1-c1ccc2cc(NCC3CC3)ncc2c1
InChIInChI=1S/C20H19FN2/c1-13-2-7-18(21)10-19(13)16-6-5-15-9-20(22-11-14-3-4-14)23-12-17(15)8-16/h2,5-10,12,14H,3-4,11H2,1H3,(H,22,23)
InChIKeyRDKXFUHCKBZTQC-UHFFFAOYSA-N
MW306.38 g/mol
LogP5.17
Rot. Bonds4

About N-(cyclopropylmethyl)-7-(5-fluoro-2-methylphenyl)isoquinolin-3-amine

N-(cyclopropylmethyl)-7-(5-fluoro-2-methylphenyl)isoquinolin-3-amine (PubChem CID 67974709) has the molecular formula C20H19FN2 and a molecular weight of 306.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-7-(5-fluoro-2-methylphenyl)isoquinolin-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-7-(5-fluoro-2-methylphenyl)isoquinolin-3-amine
PubChem CID67974709
Molecular FormulaC20H19FN2
Molecular Weight306.38 g/mol
Exact Mass306.15
IUPAC NameN-(cyclopropylmethyl)-7-(5-fluoro-2-methylphenyl)isoquinolin-3-amine
SMILESCc1ccc(F)cc1-c1ccc2cc(NCC3CC3)ncc2c1
InChIInChI=1S/C20H19FN2/c1-13-2-7-18(21)10-19(13)16-6-5-15-9-20(22-11-14-3-4-14)23-12-17(15)8-16/h2,5-10,12,14H,3-4,11H2,1H3,(H,22,23)
InChIKeyRDKXFUHCKBZTQC-UHFFFAOYSA-N
XLogP5.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.38
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-7-(5-fluoro-2-methylphenyl)isoquinolin-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-7-(5-fluoro-2-methylphenyl)isoquinolin-3-amine (CID 67974709) is N-(cyclopropylmethyl)-7-(5-fluoro-2-methylphenyl)isoquinolin-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-7-(5-fluoro-2-methylphenyl)isoquinolin-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-7-(5-fluoro-2-methylphenyl)isoquinolin-3-amine is Cc1ccc(F)cc1-c1ccc2cc(NCC3CC3)ncc2c1.
What is the InChIKey of N-(cyclopropylmethyl)-7-(5-fluoro-2-methylphenyl)isoquinolin-3-amine?
The InChIKey is RDKXFUHCKBZTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2/c1-13-2-7-18(21)10-19(13)16-6-5-15-9-20(22-11-14-3-4-14)23-12-17(15)8-16/h2,5-10,12,14H,3-4,11H2,1H3,(H,22,23).
What are the key properties of N-(cyclopropylmethyl)-7-(5-fluoro-2-methylphenyl)isoquinolin-3-amine?
N-(cyclopropylmethyl)-7-(5-fluoro-2-methylphenyl)isoquinolin-3-amine has a molecular weight of 306.38 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-7-(5-fluoro-2-methylphenyl)isoquinolin-3-amine is sourced from PubChem (CID 67974709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).