1-[2-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexan-1-amine

C19H30N2O — CID 69095548

IUPAC1-[2-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexan-1-amine
SMILESCOc1cccc2c1CCN(CCC1(N)CCCCC1)CC2
InChIInChI=1S/C19H30N2O/c1-22-18-7-5-6-16-8-13-21(14-9-17(16)18)15-12-19(20)10-3-2-4-11-19/h5-7H,2-4,8-15,20H2,1H3
InChIKeyFNXPJMKECLBWKM-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.15
Rot. Bonds4

About 1-[2-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexan-1-amine

1-[2-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexan-1-amine (PubChem CID 69095548) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-[2-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexan-1-amine
PubChem CID69095548
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-[2-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexan-1-amine
SMILESCOc1cccc2c1CCN(CCC1(N)CCCCC1)CC2
InChIInChI=1S/C19H30N2O/c1-22-18-7-5-6-16-8-13-21(14-9-17(16)18)15-12-19(20)10-3-2-4-11-19/h5-7H,2-4,8-15,20H2,1H3
InChIKeyFNXPJMKECLBWKM-UHFFFAOYSA-N
XLogP3.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexan-1-amine (CID 69095548) is 1-[2-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexan-1-amine is COc1cccc2c1CCN(CCC1(N)CCCCC1)CC2.
What is the InChIKey of 1-[2-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexan-1-amine?
The InChIKey is FNXPJMKECLBWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-22-18-7-5-6-16-8-13-21(14-9-17(16)18)15-12-19(20)10-3-2-4-11-19/h5-7H,2-4,8-15,20H2,1H3.
What are the key properties of 1-[2-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexan-1-amine?
1-[2-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexan-1-amine has a molecular weight of 302.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 69095548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).