N-ethyl-1-(3-isoquinolin-4-ylphenyl)ethanamine

C19H20N2 — CID 63941109

IUPACN-ethyl-1-(3-isoquinolin-4-ylphenyl)ethanamine
SMILESCCNC(C)c1cccc(-c2cncc3ccccc23)c1
InChIInChI=1S/C19H20N2/c1-3-21-14(2)15-8-6-9-16(11-15)19-13-20-12-17-7-4-5-10-18(17)19/h4-14,21H,3H2,1-2H3
InChIKeyOMSBTZWHNDLGOV-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.57
Rot. Bonds4

About N-ethyl-1-(3-isoquinolin-4-ylphenyl)ethanamine

N-ethyl-1-(3-isoquinolin-4-ylphenyl)ethanamine (PubChem CID 63941109) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-ethyl-1-(3-isoquinolin-4-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-isoquinolin-4-ylphenyl)ethanamine
PubChem CID63941109
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC NameN-ethyl-1-(3-isoquinolin-4-ylphenyl)ethanamine
SMILESCCNC(C)c1cccc(-c2cncc3ccccc23)c1
InChIInChI=1S/C19H20N2/c1-3-21-14(2)15-8-6-9-16(11-15)19-13-20-12-17-7-4-5-10-18(17)19/h4-14,21H,3H2,1-2H3
InChIKeyOMSBTZWHNDLGOV-UHFFFAOYSA-N
XLogP4.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-isoquinolin-4-ylaniline
CID 22724137
1-[3-(2-ethoxyphenyl)phenyl]-N-ethylethanamine
CID 62801214
1-(3-isoquinolin-4-ylphenyl)propan-1-one
CID 63938380
4-[3-[1-(ethylamino)ethyl]phenyl]-2-methyl-2,7-naphthyridin-1-one
CID 134310779
1-[3-(3-bromophenyl)phenyl]-N-ethylethanamine
CID 113324686
N-ethyl-1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanamine
CID 54911693
N-ethyl-1-[3-(2-methylpyrazol-3-yl)phenyl]ethanamine
CID 63962450
1-(3-isoquinolin-8-ylphenyl)-N-methylethanamine
CID 103143946
N-ethyl-1-(3-thiophen-3-ylphenyl)ethanamine
CID 65099364
N-[1-[3-(2-chlorophenyl)phenyl]ethyl]propan-1-amine
CID 63424882
N-ethyl-1-(3-indazol-1-ylphenyl)ethanamine
CID 79170940
1-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-ethylethanamine
CID 61033591

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-isoquinolin-4-ylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(3-isoquinolin-4-ylphenyl)ethanamine (CID 63941109) is N-ethyl-1-(3-isoquinolin-4-ylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-isoquinolin-4-ylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-isoquinolin-4-ylphenyl)ethanamine is CCNC(C)c1cccc(-c2cncc3ccccc23)c1.
What is the InChIKey of N-ethyl-1-(3-isoquinolin-4-ylphenyl)ethanamine?
The InChIKey is OMSBTZWHNDLGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-3-21-14(2)15-8-6-9-16(11-15)19-13-20-12-17-7-4-5-10-18(17)19/h4-14,21H,3H2,1-2H3.
What are the key properties of N-ethyl-1-(3-isoquinolin-4-ylphenyl)ethanamine?
N-ethyl-1-(3-isoquinolin-4-ylphenyl)ethanamine has a molecular weight of 276.38 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-isoquinolin-4-ylphenyl)ethanamine is sourced from PubChem (CID 63941109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).