N-[(6-fluoroisoquinolin-3-yl)methyl]-N-propan-2-ylpropan-2-amine

C16H21FN2 — CID 24795526

IUPACN-[(6-fluoroisoquinolin-3-yl)methyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(Cc1cc2cc(F)ccc2cn1)C(C)C
InChIInChI=1S/C16H21FN2/c1-11(2)19(12(3)4)10-16-8-14-7-15(17)6-5-13(14)9-18-16/h5-9,11-12H,10H2,1-4H3
InChIKeyMWRRBYPGHJDPLX-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.99
Rot. Bonds4

About N-[(6-fluoroisoquinolin-3-yl)methyl]-N-propan-2-ylpropan-2-amine

N-[(6-fluoroisoquinolin-3-yl)methyl]-N-propan-2-ylpropan-2-amine (PubChem CID 24795526) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[(6-fluoroisoquinolin-3-yl)methyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(6-fluoroisoquinolin-3-yl)methyl]-N-propan-2-ylpropan-2-amine
PubChem CID24795526
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC NameN-[(6-fluoroisoquinolin-3-yl)methyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(Cc1cc2cc(F)ccc2cn1)C(C)C
InChIInChI=1S/C16H21FN2/c1-11(2)19(12(3)4)10-16-8-14-7-15(17)6-5-13(14)9-18-16/h5-9,11-12H,10H2,1-4H3
InChIKeyMWRRBYPGHJDPLX-UHFFFAOYSA-N
XLogP3.99
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[[di(propan-2-yl)amino]methyl]-5-fluorophenyl]boronic acid
CID 53216526
3-(3,5-dimethoxyphenyl)-6-fluoroisoquinoline
CID 25058376
ethyl 6-fluoroisoquinoline-3-carboxylate
CID 73012991
1-(7-fluoroquinazolin-2-yl)ethanamine
CID 105444819
5-(6-fluoroisoquinolin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 167762807
(4-amino-3-methyl-4-oxobutyl) N-(6-fluoroisoquinolin-3-yl)carbamate
CID 91560550
6-fluoro-3-propan-2-ylquinoline
CID 90132820
7-fluoro-3-propan-2-ylquinoline
CID 118097497
2-(bromomethyl)-7-fluoronaphthalene
CID 23292295
7-fluoro-N,N-dimethylnaphthalen-2-amine
CID 166120526
6-fluoro-3-(5-methylpyrrolo[2,3-c]pyridin-1-yl)isoquinoline
CID 155583136
7-fluoro-1-(2-methylpropyl)imidazo[1,5-a]quinoline
CID 138982338

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoroisoquinolin-3-yl)methyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[(6-fluoroisoquinolin-3-yl)methyl]-N-propan-2-ylpropan-2-amine (CID 24795526) is N-[(6-fluoroisoquinolin-3-yl)methyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[(6-fluoroisoquinolin-3-yl)methyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[(6-fluoroisoquinolin-3-yl)methyl]-N-propan-2-ylpropan-2-amine is CC(C)N(Cc1cc2cc(F)ccc2cn1)C(C)C.
What is the InChIKey of N-[(6-fluoroisoquinolin-3-yl)methyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is MWRRBYPGHJDPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2/c1-11(2)19(12(3)4)10-16-8-14-7-15(17)6-5-13(14)9-18-16/h5-9,11-12H,10H2,1-4H3.
What are the key properties of N-[(6-fluoroisoquinolin-3-yl)methyl]-N-propan-2-ylpropan-2-amine?
N-[(6-fluoroisoquinolin-3-yl)methyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 260.36 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoroisoquinolin-3-yl)methyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 24795526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).