2-(6,9-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl)ethanamine

C15H24N2O2 — CID 82624753

IUPAC2-(6,9-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl)ethanamine
SMILESCOc1ccc(OC)c2c1C(CCN)CCCN2C
InChIInChI=1S/C15H24N2O2/c1-17-10-4-5-11(8-9-16)14-12(18-2)6-7-13(19-3)15(14)17/h6-7,11H,4-5,8-10,16H2,1-3H3
InChIKeyGKRIXCBHGQWOPX-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.37
Rot. Bonds4

About 2-(6,9-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl)ethanamine

2-(6,9-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl)ethanamine (PubChem CID 82624753) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(6,9-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl)ethanamine.

Molecular Properties

Compound Name2-(6,9-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl)ethanamine
PubChem CID82624753
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(6,9-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl)ethanamine
SMILESCOc1ccc(OC)c2c1C(CCN)CCCN2C
InChIInChI=1S/C15H24N2O2/c1-17-10-4-5-11(8-9-16)14-12(18-2)6-7-13(19-3)15(14)17/h6-7,11H,4-5,8-10,16H2,1-3H3
InChIKeyGKRIXCBHGQWOPX-UHFFFAOYSA-N
XLogP2.37
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-aminoethyl)-9-methoxy-6-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
CID 82626413
2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)ethanamine
CID 82623732
2-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanamine
CID 51657078
8-methoxy-1-methyl-3,4-dihydro-2H-quinolin-4-amine
CID 23008911
2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728671
2-[1-(2-methoxyphenyl)piperidin-2-yl]ethanamine
CID 82389615
2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728614
[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-methoxyphenyl]methanamine
CID 102725578
2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine
CID 23452506
(2R)-2-(2,6-dimethoxyphenyl)-1-propylpyrrolidine
CID 124500725
2-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728608
2-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 82076847

Frequently Asked Questions

What is the IUPAC name of 2-(6,9-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl)ethanamine?
The IUPAC name of 2-(6,9-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl)ethanamine (CID 82624753) is 2-(6,9-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl)ethanamine.
What is the SMILES notation for 2-(6,9-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl)ethanamine?
The canonical SMILES for 2-(6,9-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl)ethanamine is COc1ccc(OC)c2c1C(CCN)CCCN2C.
What is the InChIKey of 2-(6,9-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl)ethanamine?
The InChIKey is GKRIXCBHGQWOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17-10-4-5-11(8-9-16)14-12(18-2)6-7-13(19-3)15(14)17/h6-7,11H,4-5,8-10,16H2,1-3H3.
What are the key properties of 2-(6,9-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl)ethanamine?
2-(6,9-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl)ethanamine has a molecular weight of 264.37 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,9-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl)ethanamine is sourced from PubChem (CID 82624753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).