2-(9-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)ethanamine

C12H17ClN2 — CID 82391727

IUPAC2-(9-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)ethanamine
SMILESNCCC1CCCNc2c(Cl)cccc21
InChIInChI=1S/C12H17ClN2/c13-11-5-1-4-10-9(6-7-14)3-2-8-15-12(10)11/h1,4-5,9,15H,2-3,6-8,14H2
InChIKeyLQLISYJWIOWRLQ-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.98
Rot. Bonds2

About 2-(9-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)ethanamine

2-(9-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)ethanamine (PubChem CID 82391727) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 2-(9-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)ethanamine.

Molecular Properties

Compound Name2-(9-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)ethanamine
PubChem CID82391727
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name2-(9-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)ethanamine
SMILESNCCC1CCCNc2c(Cl)cccc21
InChIInChI=1S/C12H17ClN2/c13-11-5-1-4-10-9(6-7-14)3-2-8-15-12(10)11/h1,4-5,9,15H,2-3,6-8,14H2
InChIKeyLQLISYJWIOWRLQ-UHFFFAOYSA-N
XLogP2.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(9-chloro-7-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)ethanamine
CID 83672660
4-(azetidin-1-ylmethyl)-8-chloro-1,2,3,4-tetrahydroquinoline
CID 105498664
7-chloro-3-propyl-2,3-dihydro-1H-indole
CID 106985714
3-(2-aminoethyl)-7-chloro-1,3-dihydroindol-2-one
CID 63555300
(8-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanamine
CID 82276244
1-[5-(2-aminoethyl)-9-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethanone
CID 82625126
2-(7-methoxy-2,3-dihydro-1H-indol-3-yl)ethanamine
CID 82276698
2-(9-chloro-5H-indeno[1,2-b]pyridin-5-yl)ethanamine
CID 82579238
5,9-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 84718717
3-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-2-one
CID 143301820
(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine
CID 82241614
(8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)methanamine
CID 82276255

Frequently Asked Questions

What is the IUPAC name of 2-(9-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)ethanamine?
The IUPAC name of 2-(9-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)ethanamine (CID 82391727) is 2-(9-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)ethanamine.
What is the SMILES notation for 2-(9-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)ethanamine?
The canonical SMILES for 2-(9-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)ethanamine is NCCC1CCCNc2c(Cl)cccc21.
What is the InChIKey of 2-(9-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)ethanamine?
The InChIKey is LQLISYJWIOWRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c13-11-5-1-4-10-9(6-7-14)3-2-8-15-12(10)11/h1,4-5,9,15H,2-3,6-8,14H2.
What are the key properties of 2-(9-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)ethanamine?
2-(9-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)ethanamine has a molecular weight of 224.73 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)ethanamine is sourced from PubChem (CID 82391727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).