N,4-dimethyl-N-phenylisoquinolin-5-amine

C17H16N2 — CID 82582725

IUPACN,4-dimethyl-N-phenylisoquinolin-5-amine
SMILESCc1cncc2cccc(N(C)c3ccccc3)c12
InChIInChI=1S/C17H16N2/c1-13-11-18-12-14-7-6-10-16(17(13)14)19(2)15-8-4-3-5-9-15/h3-12H,1-2H3
InChIKeyKBZKLJSUEHKDPJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.31
Rot. Bonds2

About N,4-dimethyl-N-phenylisoquinolin-5-amine

N,4-dimethyl-N-phenylisoquinolin-5-amine (PubChem CID 82582725) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N,4-dimethyl-N-phenylisoquinolin-5-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-phenylisoquinolin-5-amine
PubChem CID82582725
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC NameN,4-dimethyl-N-phenylisoquinolin-5-amine
SMILESCc1cncc2cccc(N(C)c3ccccc3)c12
InChIInChI=1S/C17H16N2/c1-13-11-18-12-14-7-6-10-16(17(13)14)19(2)15-8-4-3-5-9-15/h3-12H,1-2H3
InChIKeyKBZKLJSUEHKDPJ-UHFFFAOYSA-N
XLogP4.31
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(+-)-Dimethindene
CID 21855
Quinoline
CID 7047
Pheniramine
CID 4761
6-Methylquinoline
CID 7059
Azatadine
CID 19861
Isoquinoline
CID 8405
4-Methylquinoline
CID 10285
Benzo(F)Quinoline
CID 6796
5-Aminoisoquinoline
CID 70766
Lauryl Isoquinolinium Bromide
CID 7132
8-Methylquinoline
CID 11910
5-Nitroisoquinoline
CID 69085

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-phenylisoquinolin-5-amine?
The IUPAC name of N,4-dimethyl-N-phenylisoquinolin-5-amine (CID 82582725) is N,4-dimethyl-N-phenylisoquinolin-5-amine.
What is the SMILES notation for N,4-dimethyl-N-phenylisoquinolin-5-amine?
The canonical SMILES for N,4-dimethyl-N-phenylisoquinolin-5-amine is Cc1cncc2cccc(N(C)c3ccccc3)c12.
What is the InChIKey of N,4-dimethyl-N-phenylisoquinolin-5-amine?
The InChIKey is KBZKLJSUEHKDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-13-11-18-12-14-7-6-10-16(17(13)14)19(2)15-8-4-3-5-9-15/h3-12H,1-2H3.
What are the key properties of N,4-dimethyl-N-phenylisoquinolin-5-amine?
N,4-dimethyl-N-phenylisoquinolin-5-amine has a molecular weight of 248.33 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-phenylisoquinolin-5-amine is sourced from PubChem (CID 82582725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).