5-methoxy-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine

C16H26N2O — CID 103391890

IUPAC5-methoxy-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine
SMILESCOCC(CCCN)N1CCCc2ccccc2C1
InChIInChI=1S/C16H26N2O/c1-19-13-16(9-4-10-17)18-11-5-8-14-6-2-3-7-15(14)12-18/h2-3,6-7,16H,4-5,8-13,17H2,1H3
InChIKeyOTTBHEJNFMKEGB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.19
Rot. Bonds6

About 5-methoxy-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine

5-methoxy-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine (PubChem CID 103391890) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-methoxy-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine.

Molecular Properties

Compound Name5-methoxy-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine
PubChem CID103391890
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name5-methoxy-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine
SMILESCOCC(CCCN)N1CCCc2ccccc2C1
InChIInChI=1S/C16H26N2O/c1-19-13-16(9-4-10-17)18-11-5-8-14-6-2-3-7-15(14)12-18/h2-3,6-7,16H,4-5,8-13,17H2,1H3
InChIKeyOTTBHEJNFMKEGB-UHFFFAOYSA-N
XLogP2.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dihydro-2H-quinolin-1-yl)-5-methoxypentan-1-amine
CID 103391625
5-methoxy-4-piperidin-1-ylpentan-1-amine
CID 103391620
2-(3,4-dihydro-1H-isoquinolin-2-yl)octan-1-amine
CID 43130422
4-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine
CID 62425766
N-propan-2-yl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine
CID 83054132
2-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-amine
CID 16783013
N'-hydroxy-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanimidamide
CID 55166764
N-tert-butyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine
CID 83039576
2-(2,3-dihydroindol-1-yl)-3-methoxypropan-1-amine
CID 103225380
ethyl 3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanoate
CID 63153236
2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanethioamide
CID 63153096
3-(1,3-dihydroisoindol-2-yl)pentan-1-amine
CID 62205355

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine?
The IUPAC name of 5-methoxy-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine (CID 103391890) is 5-methoxy-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine.
What is the SMILES notation for 5-methoxy-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine?
The canonical SMILES for 5-methoxy-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine is COCC(CCCN)N1CCCc2ccccc2C1.
What is the InChIKey of 5-methoxy-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine?
The InChIKey is OTTBHEJNFMKEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-19-13-16(9-4-10-17)18-11-5-8-14-6-2-3-7-15(14)12-18/h2-3,6-7,16H,4-5,8-13,17H2,1H3.
What are the key properties of 5-methoxy-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine?
5-methoxy-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine is sourced from PubChem (CID 103391890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).