1-N,1-N-dimethyl-4-N-phenylisoquinoline-1,4-diamine

C17H17N3 — CID 82572283

IUPAC1-N,1-N-dimethyl-4-N-phenylisoquinoline-1,4-diamine
SMILESCN(C)c1ncc(Nc2ccccc2)c2ccccc12
InChIInChI=1S/C17H17N3/c1-20(2)17-15-11-7-6-10-14(15)16(12-18-17)19-13-8-4-3-5-9-13/h3-12,19H,1-2H3
InChIKeyWYTVKURGUXVFAO-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.04
Rot. Bonds3

About 1-N,1-N-dimethyl-4-N-phenylisoquinoline-1,4-diamine

1-N,1-N-dimethyl-4-N-phenylisoquinoline-1,4-diamine (PubChem CID 82572283) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-4-N-phenylisoquinoline-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-4-N-phenylisoquinoline-1,4-diamine
PubChem CID82572283
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name1-N,1-N-dimethyl-4-N-phenylisoquinoline-1,4-diamine
SMILESCN(C)c1ncc(Nc2ccccc2)c2ccccc12
InChIInChI=1S/C17H17N3/c1-20(2)17-15-11-7-6-10-14(15)16(12-18-17)19-13-8-4-3-5-9-13/h3-12,19H,1-2H3
InChIKeyWYTVKURGUXVFAO-UHFFFAOYSA-N
XLogP4.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N-dimethyl-5-N-phenylisoquinoline-1,5-diamine
CID 82572671
2-[[(3-anilino-2-pyridinyl)-methylamino]-methylamino]-N-phenylpyridin-3-amine
CID 129150933
1-N,4-N-diphenylnaphthalene-1,4-diamine
CID 21408089
7-fluoro-1-N,1-N,4-N-trimethylisoquinoline-1,4-diamine
CID 82572366
4-N,4-N-dimethyl-2-N-pyridin-3-ylquinazoline-2,4-diamine
CID 71691122
4-[[4-(dimethylamino)phenyl]methyl]-N-phenylnaphthalen-1-amine;hydrochloride
CID 173140957
4-anilinonaphthalene-1-diazonium
CID 19777771
N,N-dimethylisoquinolin-1-amine
CID 10313317
4-N-cyclopropyl-5-fluoro-1-N,1-N-dimethylisoquinoline-1,4-diamine
CID 82572357
1-ethoxy-N-phenylisoquinolin-5-amine
CID 82572609
N,N-dimethylquinazolin-4-amine;hydrochloride
CID 174283261
8-chloro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine
CID 82572449

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-4-N-phenylisoquinoline-1,4-diamine?
The IUPAC name of 1-N,1-N-dimethyl-4-N-phenylisoquinoline-1,4-diamine (CID 82572283) is 1-N,1-N-dimethyl-4-N-phenylisoquinoline-1,4-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-4-N-phenylisoquinoline-1,4-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-4-N-phenylisoquinoline-1,4-diamine is CN(C)c1ncc(Nc2ccccc2)c2ccccc12.
What is the InChIKey of 1-N,1-N-dimethyl-4-N-phenylisoquinoline-1,4-diamine?
The InChIKey is WYTVKURGUXVFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-20(2)17-15-11-7-6-10-14(15)16(12-18-17)19-13-8-4-3-5-9-13/h3-12,19H,1-2H3.
What are the key properties of 1-N,1-N-dimethyl-4-N-phenylisoquinoline-1,4-diamine?
1-N,1-N-dimethyl-4-N-phenylisoquinoline-1,4-diamine has a molecular weight of 263.34 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-4-N-phenylisoquinoline-1,4-diamine is sourced from PubChem (CID 82572283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).