6-phenylmethoxyisoquinolin-3-amine

C16H14N2O — CID 71742578

IUPAC6-phenylmethoxyisoquinolin-3-amine
SMILESNc1cc2cc(OCc3ccccc3)ccc2cn1
InChIInChI=1S/C16H14N2O/c17-16-9-14-8-15(7-6-13(14)10-18-16)19-11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,17,18)
InChIKeyYSBBXEQKSBGREW-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.40
Rot. Bonds3

About 6-phenylmethoxyisoquinolin-3-amine

6-phenylmethoxyisoquinolin-3-amine (PubChem CID 71742578) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-phenylmethoxyisoquinolin-3-amine.

Molecular Properties

Compound Name6-phenylmethoxyisoquinolin-3-amine
PubChem CID71742578
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name6-phenylmethoxyisoquinolin-3-amine
SMILESNc1cc2cc(OCc3ccccc3)ccc2cn1
InChIInChI=1S/C16H14N2O/c17-16-9-14-8-15(7-6-13(14)10-18-16)19-11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,17,18)
InChIKeyYSBBXEQKSBGREW-UHFFFAOYSA-N
XLogP3.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-phenylmethoxynaphthalene
CID 640595
2-methyl-7-phenylmethoxynaphthalene
CID 90146760
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
2-tert-butyl-7-phenylmethoxynaphthalene
CID 146249475
7-phenylmethoxynaphthalene-2-carboxylic acid
CID 22243430
2-methyl-6-phenylmethoxyquinoline
CID 82580854
5-phenylmethoxypyrimidin-2-amine
CID 20748397
4-phenylmethoxyaniline
CID 159966727
3-[(4-phenylmethoxyphenyl)methyl]pyridine-2,6-diamine
CID 110186685
6-(6-phenylmethoxynaphthalen-2-yl)-1,3-benzothiazol-2-amine
CID 59282886
5-phenylmethoxypyridin-3-amine
CID 22989735
2-(aminomethyl)-4-phenylmethoxyaniline
CID 156839624

Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxyisoquinolin-3-amine?
The IUPAC name of 6-phenylmethoxyisoquinolin-3-amine (CID 71742578) is 6-phenylmethoxyisoquinolin-3-amine.
What is the SMILES notation for 6-phenylmethoxyisoquinolin-3-amine?
The canonical SMILES for 6-phenylmethoxyisoquinolin-3-amine is Nc1cc2cc(OCc3ccccc3)ccc2cn1.
What is the InChIKey of 6-phenylmethoxyisoquinolin-3-amine?
The InChIKey is YSBBXEQKSBGREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c17-16-9-14-8-15(7-6-13(14)10-18-16)19-11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,17,18).
What are the key properties of 6-phenylmethoxyisoquinolin-3-amine?
6-phenylmethoxyisoquinolin-3-amine has a molecular weight of 250.30 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxyisoquinolin-3-amine is sourced from PubChem (CID 71742578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).