2-(2,3,5-trimethyl-2,3-dihydro-1-benzazepin-1-yl)ethanamine

C15H22N2 — CID 10036849

IUPAC2-(2,3,5-trimethyl-2,3-dihydro-1-benzazepin-1-yl)ethanamine
SMILESCC1=CC(C)C(C)N(CCN)c2ccccc21
InChIInChI=1S/C15H22N2/c1-11-10-12(2)14-6-4-5-7-15(14)17(9-8-16)13(11)3/h4-7,10-11,13H,8-9,16H2,1-3H3
InChIKeyLJWWCRFIEQHVSD-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.89
Rot. Bonds2

About 2-(2,3,5-trimethyl-2,3-dihydro-1-benzazepin-1-yl)ethanamine

2-(2,3,5-trimethyl-2,3-dihydro-1-benzazepin-1-yl)ethanamine (PubChem CID 10036849) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(2,3,5-trimethyl-2,3-dihydro-1-benzazepin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3,5-trimethyl-2,3-dihydro-1-benzazepin-1-yl)ethanamine
PubChem CID10036849
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-(2,3,5-trimethyl-2,3-dihydro-1-benzazepin-1-yl)ethanamine
SMILESCC1=CC(C)C(C)N(CCN)c2ccccc21
InChIInChI=1S/C15H22N2/c1-11-10-12(2)14-6-4-5-7-15(14)17(9-8-16)13(11)3/h4-7,10-11,13H,8-9,16H2,1-3H3
InChIKeyLJWWCRFIEQHVSD-UHFFFAOYSA-N
XLogP2.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,4-trimethyl-2H-quinoline
CID 19781411
(2S)-1-ethyl-4-methyl-2-(trichloromethyl)-2H-quinoline
CID 902094
2-[(3aR,8bS)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl]ethanamine
CID 129383600
(1S,2S)-2,4-dimethyl-1,2-dihydronaphthalen-1-ol
CID 102230606
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine
CID 28806962
2-(4-bromo-2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 118050177
2-(2-aminoethyl)isoindole-1,3-dione;hydrochloride
CID 22063849
2-(1,3-difluoro-2,4,6-trimethyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanamine
CID 155032546
2,3-dimethyl-1-propyl-2,3-dihydroindole
CID 161026697
2,2,4-trimethyl-1-[2-(2,2,4-trimethylquinolin-1-yl)ethyl]quinoline
CID 21265392
2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine;2,2,2-trifluoroacetic acid
CID 160947916
1,3-dimethyl-1H-indene;ethane
CID 90859449

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5-trimethyl-2,3-dihydro-1-benzazepin-1-yl)ethanamine?
The IUPAC name of 2-(2,3,5-trimethyl-2,3-dihydro-1-benzazepin-1-yl)ethanamine (CID 10036849) is 2-(2,3,5-trimethyl-2,3-dihydro-1-benzazepin-1-yl)ethanamine.
What is the SMILES notation for 2-(2,3,5-trimethyl-2,3-dihydro-1-benzazepin-1-yl)ethanamine?
The canonical SMILES for 2-(2,3,5-trimethyl-2,3-dihydro-1-benzazepin-1-yl)ethanamine is CC1=CC(C)C(C)N(CCN)c2ccccc21.
What is the InChIKey of 2-(2,3,5-trimethyl-2,3-dihydro-1-benzazepin-1-yl)ethanamine?
The InChIKey is LJWWCRFIEQHVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-11-10-12(2)14-6-4-5-7-15(14)17(9-8-16)13(11)3/h4-7,10-11,13H,8-9,16H2,1-3H3.
What are the key properties of 2-(2,3,5-trimethyl-2,3-dihydro-1-benzazepin-1-yl)ethanamine?
2-(2,3,5-trimethyl-2,3-dihydro-1-benzazepin-1-yl)ethanamine has a molecular weight of 230.35 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5-trimethyl-2,3-dihydro-1-benzazepin-1-yl)ethanamine is sourced from PubChem (CID 10036849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).