(5S)-5-methyl-N-[(1R)-1-phenylethyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine

C19H24N2 — CID 59013675

IUPAC(5S)-5-methyl-N-[(1R)-1-phenylethyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine
SMILESC[C@@H]1CNCCc2ccc(N[C@H](C)c3ccccc3)cc21
InChIInChI=1S/C19H24N2/c1-14-13-20-11-10-17-8-9-18(12-19(14)17)21-15(2)16-6-4-3-5-7-16/h3-9,12,14-15,20-21H,10-11,13H2,1-2H3/t14-,15-/m1/s1
InChIKeyWHOLPPVUBXQCAC-HUUCEWRRSA-N
MW280.42 g/mol
LogP4.11
Rot. Bonds3

About (5S)-5-methyl-N-[(1R)-1-phenylethyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine

(5S)-5-methyl-N-[(1R)-1-phenylethyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine (PubChem CID 59013675) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is (5S)-5-methyl-N-[(1R)-1-phenylethyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine.

Molecular Properties

Compound Name(5S)-5-methyl-N-[(1R)-1-phenylethyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine
PubChem CID59013675
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name(5S)-5-methyl-N-[(1R)-1-phenylethyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine
SMILESC[C@@H]1CNCCc2ccc(N[C@H](C)c3ccccc3)cc21
InChIInChI=1S/C19H24N2/c1-14-13-20-11-10-17-8-9-18(12-19(14)17)21-15(2)16-6-4-3-5-7-16/h3-9,12,14-15,20-21H,10-11,13H2,1-2H3/t14-,15-/m1/s1
InChIKeyWHOLPPVUBXQCAC-HUUCEWRRSA-N
XLogP4.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-N-[(1R)-1-phenylethyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine?
The IUPAC name of (5S)-5-methyl-N-[(1R)-1-phenylethyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine (CID 59013675) is (5S)-5-methyl-N-[(1R)-1-phenylethyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine.
What is the SMILES notation for (5S)-5-methyl-N-[(1R)-1-phenylethyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine?
The canonical SMILES for (5S)-5-methyl-N-[(1R)-1-phenylethyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine is C[C@@H]1CNCCc2ccc(N[C@H](C)c3ccccc3)cc21.
What is the InChIKey of (5S)-5-methyl-N-[(1R)-1-phenylethyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine?
The InChIKey is WHOLPPVUBXQCAC-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H24N2/c1-14-13-20-11-10-17-8-9-18(12-19(14)17)21-15(2)16-6-4-3-5-7-16/h3-9,12,14-15,20-21H,10-11,13H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of (5S)-5-methyl-N-[(1R)-1-phenylethyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine?
(5S)-5-methyl-N-[(1R)-1-phenylethyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine has a molecular weight of 280.42 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-N-[(1R)-1-phenylethyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine is sourced from PubChem (CID 59013675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).