1-[(4-ethylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine

C19H24N2 — CID 114336111

IUPAC1-[(4-ethylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCCc1ccc(CN2CCCC(N)c3ccccc32)cc1
InChIInChI=1S/C19H24N2/c1-2-15-9-11-16(12-10-15)14-21-13-5-7-18(20)17-6-3-4-8-19(17)21/h3-4,6,8-12,18H,2,5,7,13-14,20H2,1H3
InChIKeyFGIIYRYWOPVKAX-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.05
Rot. Bonds3

About 1-[(4-ethylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine

1-[(4-ethylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine (PubChem CID 114336111) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
PubChem CID114336111
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name1-[(4-ethylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCCc1ccc(CN2CCCC(N)c3ccccc32)cc1
InChIInChI=1S/C19H24N2/c1-2-15-9-11-16(12-10-15)14-21-13-5-7-18(20)17-6-3-4-8-19(17)21/h3-4,6,8-12,18H,2,5,7,13-14,20H2,1H3
InChIKeyFGIIYRYWOPVKAX-UHFFFAOYSA-N
XLogP4.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335986
1-[(3-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335994
1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336060
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336059
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methylpropan-2-ol
CID 114336015
1-(3-methylbutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335975
1-(4-methoxybutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336160
3-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanamide
CID 114336013
1-butan-2-yl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336030
1-[2-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyridin-2-one
CID 114336159
(4-amino-3,4-dihydro-2H-quinolin-1-yl)methanol
CID 123223883
N-hydroxy-4-[(6-propyl-3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)methyl]benzamide
CID 166803197

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine (CID 114336111) is 1-[(4-ethylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine is CCc1ccc(CN2CCCC(N)c3ccccc32)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The InChIKey is FGIIYRYWOPVKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-2-15-9-11-16(12-10-15)14-21-13-5-7-18(20)17-6-3-4-8-19(17)21/h3-4,6,8-12,18H,2,5,7,13-14,20H2,1H3.
What are the key properties of 1-[(4-ethylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
1-[(4-ethylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine has a molecular weight of 280.42 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine is sourced from PubChem (CID 114336111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).