N-ethyl-N-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]ethanamine

C21H26N2 — CID 3068682

IUPACN-ethyl-N-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]ethanamine
SMILESCCN(CC)CC1Cc2ccc(C)cc2C(c2ccccc2)=N1
InChIInChI=1S/C21H26N2/c1-4-23(5-2)15-19-14-18-12-11-16(3)13-20(18)21(22-19)17-9-7-6-8-10-17/h6-13,19H,4-5,14-15H2,1-3H3
InChIKeyCLXHBDCMAGTPBH-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.10
Rot. Bonds5

About N-ethyl-N-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]ethanamine

N-ethyl-N-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]ethanamine (PubChem CID 3068682) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-ethyl-N-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]ethanamine
PubChem CID3068682
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC NameN-ethyl-N-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]ethanamine
SMILESCCN(CC)CC1Cc2ccc(C)cc2C(c2ccccc2)=N1
InChIInChI=1S/C21H26N2/c1-4-23(5-2)15-19-14-18-12-11-16(3)13-20(18)21(22-19)17-9-7-6-8-10-17/h6-13,19H,4-5,14-15H2,1-3H3
InChIKeyCLXHBDCMAGTPBH-UHFFFAOYSA-N
XLogP4.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]ethanamine (CID 3068682) is N-ethyl-N-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]ethanamine is CCN(CC)CC1Cc2ccc(C)cc2C(c2ccccc2)=N1.
What is the InChIKey of N-ethyl-N-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]ethanamine?
The InChIKey is CLXHBDCMAGTPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-4-23(5-2)15-19-14-18-12-11-16(3)13-20(18)21(22-19)17-9-7-6-8-10-17/h6-13,19H,4-5,14-15H2,1-3H3.
What are the key properties of N-ethyl-N-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]ethanamine?
N-ethyl-N-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]ethanamine has a molecular weight of 306.45 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]ethanamine is sourced from PubChem (CID 3068682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).